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2(1H)-Azocinone, 3,6,7,8-tetrahydro-5-(phenylsulfonyl)-, (E)-
SpectraBase Compound ID 7TEdRbVQxSY
InChI InChI=1S/C13H15NO3S/c15-13-9-8-12(7-4-10-14-13)18(16,17)11-5-2-1-3-6-11/h1-3,5-6,8H,4,7,9-10H2,(H,14,15)/b12-8+
InChIKey YOZPOFDSIRESIK-XYOKQWHBSA-N
Mol Weight 265.33 g/mol
Molecular Formula C13H15NO3S
Exact Mass 265.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56j9AEAabVz
Name 2(1H)-Azocinone, 3,6,7,8-tetrahydro-5-(phenylsulfonyl)-, (E)-
CAS Registry Number 105495-27-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO3S
InChI InChI=1S/C13H15NO3S/c15-13-9-8-12(7-4-10-14-13)18(16,17)11-5-2-1-3-6-11/h1-3,5-6,8H,4,7,9-10H2,(H,14,15)/b12-8+
InChIKey YOZPOFDSIRESIK-XYOKQWHBSA-N
Molecular Weight 265.327 g/mol
SMILES N1C(C\C=C/(CCC1)S(=O)(=O)c1ccccc1)=O
SPLASH splash10-00dj-9700000000-bec7730517d0707b709b
Source of Spectrum B-39-697-27
Synonyms (E)-5-Phenylsulfonyl-3,6,7,8-tetrahydroazocin-2(1H)-one 5-(Phenylsulfonyl)-3,6,7,8-tetrahydro-2(1H)-azocinone
Wiley ID 1268823