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benzamide, N-[1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-

View entire compound with spectra: 1 NMR

benzamide, N-[1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-
SpectraBase Compound ID HqJBNgSA1qR
InChI InChI=1S/C20H17F6N3OS/c21-19(22,23)18(20(24,25)26,28-16(30)12-7-3-1-4-8-12)29-17-14(11-27)13-9-5-2-6-10-15(13)31-17/h1,3-4,7-8,29H,2,5-6,9-10H2,(H,28,30)
InChIKey SGXYDSLFQLQRJP-UHFFFAOYSA-N
Mol Weight 461.43 g/mol
Molecular Formula C20H17F6N3OS
Exact Mass 461.099652 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LfDwusli75f
Name benzamide, N-[1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[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 461.099652330 u
Formula C20H17F6N3OS
InChI InChI=1S/C20H17F6N3OS/c21-19(22,23)18(20(24,25)26,28-16(30)12-7-3-1-4-8-12)29-17-14(11-27)13-9-5-2-6-10-15(13)31-17/h1,3-4,7-8,29H,2,5-6,9-10H2,(H,28,30)
InChIKey SGXYDSLFQLQRJP-UHFFFAOYSA-N
Molecular Weight 461.426 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5633
Solvent DMSO-d6
Source Vendor ID: NMR/9290723; Lab Info: AU; Lab Number: AU-0000454