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2(1H)-Azocinone, 1-chloro-5,6,7,8-tetrahydro-3-(phenylsulfonyl)-, (E)-
SpectraBase Compound ID 2mwyJx7Wu6Q
InChI InChI=1S/C13H14ClNO3S/c14-15-10-6-2-5-9-12(13(15)16)19(17,18)11-7-3-1-4-8-11/h1,3-4,7-9H,2,5-6,10H2/b12-9+
InChIKey OYMSISZEXHPULY-FMIVXFBMSA-N
Mol Weight 299.77 g/mol
Molecular Formula C13H14ClNO3S
Exact Mass 299.038292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vYGZHjjqqv
Name 2(1H)-Azocinone, 1-chloro-5,6,7,8-tetrahydro-3-(phenylsulfonyl)-, (E)-
CAS Registry Number 105495-32-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14ClNO3S
InChI InChI=1S/C13H14ClNO3S/c14-15-10-6-2-5-9-12(13(15)16)19(17,18)11-7-3-1-4-8-11/h1,3-4,7-9H,2,5-6,10H2/b12-9+
InChIKey OYMSISZEXHPULY-FMIVXFBMSA-N
Molecular Weight 299.772 g/mol
SMILES c1(S(\C=2C(N(Cl)CCCCC/2)=O)(=O)=O)ccccc1
SPLASH splash10-0fb9-8590000000-ec6c93f6180abc42aef1
Source of Spectrum B-39-698-30
Synonyms (E)-N-chloro-3-phenylsulfonyl-5,6,7,8-tetrahydroazocin-2(1H)-one 1-Chloro-3-(phenylsulfonyl)-5,6,7,8-tetrahydro-2(1H)-azocinone
Wiley ID 1301750