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1-Cyclohexene-1-carboxamide, 6-ethyl-N,N-bis(1-methylethyl)-6-(phenylthio)-
SpectraBase Compound ID TRXINUZcBN
InChI InChI=1S/C21H31NOS/c1-6-21(24-18-12-8-7-9-13-18)15-11-10-14-19(21)20(23)22(16(2)3)17(4)5/h7-9,12-14,16-17H,6,10-11,15H2,1-5H3
InChIKey JGDXBLCRQIHQIX-UHFFFAOYSA-N
Mol Weight 345.55 g/mol
Molecular Formula C21H31NOS
Exact Mass 345.212636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4tZ1RnvGRd
Name 1-Cyclohexene-1-carboxamide, 6-ethyl-N,N-bis(1-methylethyl)-6-(phenylthio)-
CAS Registry Number 96759-40-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NOS
InChI InChI=1S/C21H31NOS/c1-6-21(24-18-12-8-7-9-13-18)15-11-10-14-19(21)20(23)22(16(2)3)17(4)5/h7-9,12-14,16-17H,6,10-11,15H2,1-5H3
InChIKey JGDXBLCRQIHQIX-UHFFFAOYSA-N
Molecular Weight 345.545 g/mol
SMILES C=1(C(N(C(C)C)C(C)C)=O)C(Sc2ccccc2)(CC)CCCC1
SPLASH splash10-000b-2292000000-0b437bd4d0fff7ab0fd4
Source of Spectrum C-107-4755-0
Synonyms 6-Ethyl-N,N-diisopropyl-6-(phenylsulfanyl)-1-cyclohexene-1-carboxamide N,N-diisopropyl-6-ethyl-6-(phenylthio)-1-cyclohexenecarboxamide
Wiley ID 1338769