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2,4,6-Tris(3,4-difluorophenyl)boroxin
SpectraBase Compound ID DD4PQ6FtgW8
InChI InChI=1S/C18H9B3F6O3/c22-13-4-1-10(7-16(13)25)19-28-20(11-2-5-14(23)17(26)8-11)30-21(29-19)12-3-6-15(24)18(27)9-12/h1-9H
InChIKey KIRMDENYWDSJJI-UHFFFAOYSA-N
Mol Weight 419.7 g/mol
Molecular Formula C18H9B3F6O3
Exact Mass 420.073504 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID CuEowVB43Xt
Name 2,4,6-Tris(3,4-difluorophenyl)boroxin
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number T2430
Lot Number LWH6A-TP
Accessory DuraSample IR #145404C7
Acquisition Mode double sided, forward-backward
Actual Signal Gain 16
Actual Signal Gain 2nd Channel 1
Additional Data Treatment 1
Analog Signal 1 0.270473
Analog Signal 2 0
Aperture Setting 6 mm
Apodization Function Norton-Beer, medium
Background Measurement Channel Sample Compartment
Background Peak Amplitude 2nd Channel 1
Background Peak Location 2nd Channel 1
Background Rotations 32
Background Scans 32
Background Scans or Time Scans
Backward Peak Amplitude -1350
Backward Peak Location 7370
Beam Splitter Setting KBr
CAS Registry Number 1456935-98-0
Color Properties White - Very pale yellow
Container ID C-010379
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Point Format 1
Delay Before Measurement 1 s
Detector Setting RT-DLaTGS [Internal]
End Frequency Limit for File 340
External Synchronization Off
Focal Length 100
Formula C18H9B3F6O3
Frequency of First Point 3998.31 cm⁻¹
Frequency of Last Point 339.461 cm⁻¹
High Folding Limit 15800.4
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C18H9B3F6O3/c22-13-4-1-10(7-16(13)25)19-28-20(11-2-5-14(23)17(26)8-11)30-21(29-19)12-3-6-15(24)18(27)9-12/h1-9H
InChIKey KIRMDENYWDSJJI-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Laser Wavenumber 15800.4 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Measurement Channel Sample Compartment
Molecular Weight 419.687 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1379
Peak Amplitude 2nd Channel 1
Peak Location 7365
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity >98.0%
Relative Humidity Interferometer 20 %
Resolution 4
SKU T2430-5G
SMILES c1(B2OB(OB(O2)c2cc(c(cc2)F)F)c2ccc(c(c2)F)F)cc(c(cc1)F)F
Sample Comments Sample ground at metal edge of ATR
Sample Rotations 32
Sample Scans or Time Scans
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 27.301 s
Scanner Temperature 29.1 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Signal Gain, Sample automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Synonyms 3,4-Difluorophenylboronic anhydride; Tris(3,4-difluorophenyl)cycloboroxane
Technique ATR-Neat
Zero Filling Factor 4