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1-Cyclopentene-1-carbonitrile, 2-[[1-benzoyl-3-(methylthio)propyl]amino]-, (S)-
SpectraBase Compound ID Km6qTmQ24lZ
InChI InChI=1S/C17H20N2OS/c1-21-11-10-16(17(20)13-6-3-2-4-7-13)19-15-9-5-8-14(15)12-18/h2-4,6-7,16,19H,5,8-11H2,1H3/t16-/m0/s1
InChIKey QWVAAXOHZHOMNC-INIZCTEOSA-N
Mol Weight 300.42 g/mol
Molecular Formula C17H20N2OS
Exact Mass 300.129634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzoFYeOX6hN
Name 1-Cyclopentene-1-carbonitrile, 2-[[1-benzoyl-3-(methylthio)propyl]amino]-, (S)-
CAS Registry Number 113496-00-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N2OS
InChI InChI=1S/C17H20N2OS/c1-21-11-10-16(17(20)13-6-3-2-4-7-13)19-15-9-5-8-14(15)12-18/h2-4,6-7,16,19H,5,8-11H2,1H3/t16-/m0/s1
InChIKey QWVAAXOHZHOMNC-INIZCTEOSA-N
Molecular Weight 300.420 g/mol
SMILES N(C1=C(C#N)CCC1)[C@](C(=O)c1ccccc1)(CCSC)[H]
SPLASH splash10-03dj-9500000000-bff2ce913bcd94025b76
Source of Spectrum H-70-1283-0
Synonyms 2-{[(1S)-1-benzoyl-3-(methylsulfanyl)propyl]amino}-1-cyclopentene-1-carbonitrile [(benzoyl-1-(methylthio)-3-propyl)amino]-2-cyclopentene-1-carbonitrile
Wiley ID 1302926