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benzamide, 4-chloro-N-[1-[(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-
SpectraBase Compound ID K9tUnHEJQeo
InChI InChI=1S/C19H14ClF6N3OS/c20-11-7-5-10(6-8-11)15(30)28-17(18(21,22)23,19(24,25)26)29-16-13(9-27)12-3-1-2-4-14(12)31-16/h5-8,29H,1-4H2,(H,28,30)
InChIKey FNCLDKFKPYIPOR-UHFFFAOYSA-N
Mol Weight 481.84 g/mol
Molecular Formula C19H14ClF6N3OS
Exact Mass 481.04503 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9O7flCp97C3
Name benzamide, 4-chloro-N-[1-[(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.045029934 u
Formula C19H14ClF6N3OS
InChI InChI=1S/C19H14ClF6N3OS/c20-11-7-5-10(6-8-11)15(30)28-17(18(21,22)23,19(24,25)26)29-16-13(9-27)12-3-1-2-4-14(12)31-16/h5-8,29H,1-4H2,(H,28,30)
InChIKey FNCLDKFKPYIPOR-UHFFFAOYSA-N
Molecular Weight 481.844 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8293
Solvent DMSO-d6
Source Vendor ID: NMR/9321643; Lab Info: AU; Lab Number: AU-t000758
Temperature 29.85 °C