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2(1H)-Azocinone, 5-chloro-5,6,7,8-tetrahydro-3-(phenylsulfonyl)-, (E)-
SpectraBase Compound ID 15JGbIbukGq
InChI InChI=1S/C13H14ClNO3S/c14-10-5-4-8-15-13(16)12(9-10)19(17,18)11-6-2-1-3-7-11/h1-3,6-7,9-10H,4-5,8H2,(H,15,16)/b12-9+
InChIKey QGQMLPJNUCTWCP-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 6M87FZknKKv
Name 2(1H)-Azocinone, 5-chloro-5,6,7,8-tetrahydro-3-(phenylsulfonyl)-, (E)-
CAS Registry Number 105495-33-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14ClNO3S
InChI InChI=1S/C13H14ClNO3S/c14-10-5-4-8-15-13(16)12(9-10)19(17,18)11-6-2-1-3-7-11/h1-3,6-7,9-10H,4-5,8H2,(H,15,16)/b12-9+
InChIKey QGQMLPJNUCTWCP-FMIVXFBMSA-N
Molecular Weight 299.772 g/mol
SMILES N1CCCC(\C=C/(C1=O)S(=O)(=O)c1ccccc1)Cl
SPLASH splash10-00b9-9620000000-000a1338ca97b1604360
Source of Spectrum B-39-698-35
Synonyms (E)-5-Chloro-3-phenylsulfonyl-5,6,7,8-tetrahydroazocin-2(1H)-one 5-Chloro-3-(phenylsulfonyl)-5,6,7,8-tetrahydro-2(1H)-azocinone
Wiley ID 1301751