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N-[1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2-phenylacetamide
SpectraBase Compound ID G8Vc0xlvD7W
InChI InChI=1S/C20H17F6N3OS/c21-19(22,23)18(20(24,25)26,28-16(30)10-12-6-2-1-3-7-12)29-17-14(11-27)13-8-4-5-9-15(13)31-17/h1-3,6-7,29H,4-5,8-10H2,(H,28,30)
InChIKey YAKXNSXYGGZHMS-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 DCKUi6b6E2l
Name N-[1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2-phenylacetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H17F6N3OS/c21-19(22,23)18(20(24,25)26,28-16(30)10-12-6-2-1-3-7-12)29-17-14(11-27)13-8-4-5-9-15(13)31-17/h1-3,6-7,29H,4-5,8-10H2,(H,28,30)
InChIKey YAKXNSXYGGZHMS-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_425
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: C27129; Labnumber: SOK-1046; SBI_ID: SBI-000427
Temperature 308 °C