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2(1H)-Azocinone, 3-chlorohexahydro-3-(phenylthio)-
SpectraBase Compound ID LuBnWZWqXOx
InChI InChI=1S/C13H16ClNOS/c14-13(17-11-7-3-1-4-8-11)9-5-2-6-10-15-12(13)16/h1,3-4,7-8H,2,5-6,9-10H2,(H,15,16)
InChIKey QEKCLNTYDOSKHK-UHFFFAOYSA-N
Mol Weight 269.79 g/mol
Molecular Formula C13H16ClNOS
Exact Mass 269.064113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Im0nrNLxxbF
Name 2(1H)-Azocinone, 3-chlorohexahydro-3-(phenylthio)-
CAS Registry Number 78411-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16ClNOS
InChI InChI=1S/C13H16ClNOS/c14-13(17-11-7-3-1-4-8-11)9-5-2-6-10-15-12(13)16/h1,3-4,7-8H,2,5-6,9-10H2,(H,15,16)
InChIKey QEKCLNTYDOSKHK-UHFFFAOYSA-N
Molecular Weight 269.790 g/mol
SMILES N1CCCCCC(C1=O)(Sc1ccccc1)Cl
SPLASH splash10-02t9-3490000000-f2cbf564265c35a60f7e
Source of Spectrum B-34-580-0
Synonyms 3-Chloro-3-(phenylsulfanyl)hexahydro-2(1H)-azocinone 3-Chloro-3-phenylthiohexahydroazocin-2(1H)-one
Wiley ID 1273072