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

*Links on SpectraBase are not permalinks.
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SpectraBase Compound ID CwwgPT7DFPn
InChI InChI=1S/C17H18F6N2OS/c1-15(2,3)8-4-5-9-10(7-24)14(27-11(9)6-8)25-13(26)12(16(18,19)20)17(21,22)23/h8,12H,4-6H2,1-3H3,(H,25,26)
InChIKey JAMYOMLFMDYJQT-UHFFFAOYSA-N
Mol Weight 412.39 g/mol
Molecular Formula C17H18F6N2OS
Exact Mass 412.104403 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 Bbf8STnipWO
Name N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18F6N2OS
InChI InChI=1S/C17H18F6N2OS/c1-15(2,3)8-4-5-9-10(7-24)14(27-11(9)6-8)25-13(26)12(16(18,19)20)17(21,22)23/h8,12H,4-6H2,1-3H3,(H,25,26)
InChIKey JAMYOMLFMDYJQT-UHFFFAOYSA-N
Molecular Weight 412.394 g/mol
SMILES N(C(C(C(F)(F)F)C(F)(F)F)=O)c1c(c2CCC(Cc2s1)C(C)(C)C)C#N
SPLASH splash10-0kbf-9501000000-827885dd33823a872098
Synonyms N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-tris(fluoranyl)-2-(trifluoromethyl)propanamide N-(6-tert-Butyl-3-cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-3,3,3-trifluoro-2-trifluoromethyl-propionamide N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propionamide
Wiley ID 1466608