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2(1H)-Azocinone, 5,6,7,8-tetrahydro-3-(phenylthio)-, (E)-
SpectraBase Compound ID COK2wVCqgTc
InChI InChI=1S/C13H15NOS/c15-13-12(9-5-2-6-10-14-13)16-11-7-3-1-4-8-11/h1,3-4,7-9H,2,5-6,10H2,(H,14,15)/b12-9+
InChIKey WOZZQKDONKNQEU-FMIVXFBMSA-N
Mol Weight 233.33 g/mol
Molecular Formula C13H15NOS
Exact Mass 233.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKAnqSKREcz
Name 2(1H)-Azocinone, 5,6,7,8-tetrahydro-3-(phenylthio)-, (E)-
CAS Registry Number 78411-37-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NOS
InChI InChI=1S/C13H15NOS/c15-13-12(9-5-2-6-10-14-13)16-11-7-3-1-4-8-11/h1,3-4,7-9H,2,5-6,10H2,(H,14,15)/b12-9+
InChIKey WOZZQKDONKNQEU-FMIVXFBMSA-N
Molecular Weight 233.329 g/mol
SMILES N1CCCC\C=C/(C1=O)Sc1ccccc1
SPLASH splash10-0006-9000000000-bebd1f871fdac7c46515
Source of Spectrum B-34-579-0
Synonyms (E)-3-Phenylthio-5,6,7,8-tetrahydroazocin-2(1H)-one 3-(Phenylsulfanyl)-5,6,7,8-tetrahydro-2(1H)-azocinone
Wiley ID 1234855