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

*Links on SpectraBase are not permalinks.
2(1H)-Azocinone, 5,6,7,8-tetrahydro-3-(phenylsulfinyl)-, (E)-
SpectraBase Compound ID 333jn64duHV
InChI InChI=1S/C13H15NO2S/c15-13-12(9-5-2-6-10-14-13)17(16)11-7-3-1-4-8-11/h1,3-4,7-9H,2,5-6,10H2,(H,14,15)/b12-9+
InChIKey PYFAKGRRJDZRRF-FMIVXFBMSA-N
Mol Weight 249.33 g/mol
Molecular Formula C13H15NO2S
Exact Mass 249.08235 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 DjjTvfGA5IH
Name 2(1H)-Azocinone, 5,6,7,8-tetrahydro-3-(phenylsulfinyl)-, (E)-
CAS Registry Number 105495-31-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2S
InChI InChI=1S/C13H15NO2S/c15-13-12(9-5-2-6-10-14-13)17(16)11-7-3-1-4-8-11/h1,3-4,7-9H,2,5-6,10H2,(H,14,15)/b12-9+
InChIKey PYFAKGRRJDZRRF-FMIVXFBMSA-N
Molecular Weight 249.328 g/mol
SMILES N1CCCC\C=C/(C1=O)S(=O)c1ccccc1
SPLASH splash10-0002-6190000000-3ff4ab8912e670409a99
Source of Spectrum B-39-698-33
Synonyms (E)-3-Phenylsulfinyl-5,6,7,8-tetrahydroazocin-2(1H)-one 3-(Phenylsulfinyl)-5,6,7,8-tetrahydro-2(1H)-azocinone
Wiley ID 1252093