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3,5-Dinitro-2-methylbenzeneboronic acid
SpectraBase Compound ID 3X5Izmjbco3
InChI InChI=1S/C7H7BN2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3,11-12H,1H3
InChIKey ZESXGHPFWNSQQV-UHFFFAOYSA-N
Mol Weight 226.0 g/mol
Molecular Formula C7H7BN2O6
Exact Mass 226.039716 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 4xF6QHQzJY5
Name 3,5-Dinitro-2-methylbenzeneboronic acid
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number H52611
Lot Number F03Z042
Accessory TRANS *14560FA0
Acquisition Mode double sided, forward-backward
Actual Signal Gain 2
Actual Signal Gain 2nd Channel 1
Additional Data Treatment 0
Analog Signal 1 0.270598
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 Scans 16
Background Scans or Time Scans
Backward Peak Amplitude -10910
Backward Peak Location 14473
Beam Splitter Setting KBr
CAS Registry Number 24341-76-2
Color Properties Pale yellow
Container ID C-009335
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Point Format 1
Delay Before Measurement 0 s
Detector Setting RT-DLaTGS [Internal]
End Frequency Limit for File 340
External Synchronization Off
Focal Length 100
Formula C7H7BN2O6
Frequency of First Point 3999.54 cm⁻¹
Frequency of Last Point 339.945 cm⁻¹
High Folding Limit 15800.5
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C7H7BN2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3,11-12H,1H3
InChIKey ZESXGHPFWNSQQV-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
KBr Capsule ID K-04611
Laser Wavenumber 15800.5 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Molecular Weight 225.951 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -10316
Peak Amplitude 2nd Channel 1
Peak Location 14483
Peak Location 2nd Channel 1
Pellet ID P-04438
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Solid
Preamplifier Gain Background 0
Purity 96%
Relative Humidity Interferometer 10 %
Resolution 2
SKU H52611-1G
SMILES O=N(=O)c1cc(c(c(B(O)O)c1)C)N(=O)=O
Sample Capsule ID S-04611
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.038 s
Scanner Temperature 30 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Technique KBr1
Zero Filling Factor 8