For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

N-[1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-3-phenyl-propanamide

View entire compound with spectra: 1 MS (GC)

N-[1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-3-phenyl-propanamide
SpectraBase Compound ID HklT8AF50QE
InChI InChI=1S/C21H19F6N3OS/c22-20(23,24)19(21(25,26)27,29-17(31)11-10-13-6-2-1-3-7-13)30-18-15(12-28)14-8-4-5-9-16(14)32-18/h1-3,6-7,30H,4-5,8-11H2,(H,29,31)
InChIKey SAYGFWFCQAVKBQ-UHFFFAOYSA-N
Mol Weight 475.45 g/mol
Molecular Formula C21H19F6N3OS
Exact Mass 475.115302 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KfrdFAeZoTv
Name N-[1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-3-phenyl-propanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19F6N3OS
InChI InChI=1S/C21H19F6N3OS/c22-20(23,24)19(21(25,26)27,29-17(31)11-10-13-6-2-1-3-7-13)30-18-15(12-28)14-8-4-5-9-16(14)32-18/h1-3,6-7,30H,4-5,8-11H2,(H,29,31)
InChIKey SAYGFWFCQAVKBQ-UHFFFAOYSA-N
Molecular Weight 475.453 g/mol
SMILES N(c1c(c2CCCCc2s1)C#N)C(C(F)(F)F)(C(F)(F)F)NC(=O)CCc1ccccc1
SPLASH splash10-004i-6911000000-73bfcd40e36fbf341a46
Synonyms N-[1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-3-phenyl-propionamide N-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-phenylpropanamide N-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-3-phenyl-propanamide
Wiley ID 1464311