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4-Heptenoic acid, 4-chloro-5-(phenylsulfinyl)-, methyl ester, (E)-
SpectraBase Compound ID I9rAFwtRzk
InChI InChI=1S/C14H17ClO3S/c1-3-13(12(15)9-10-14(16)18-2)19(17)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3/b13-12+
InChIKey ZGGQUQPUJHAGKL-OUKQBFOZSA-N
Mol Weight 300.8 g/mol
Molecular Formula C14H17ClO3S
Exact Mass 300.058693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuX3cPeWImT
Name 4-Heptenoic acid, 4-chloro-5-(phenylsulfinyl)-, methyl ester, (E)-
Alternate Name(s) Methyl (4E)-4-chloro-5-(phenylsulfinyl)-4-heptenoate Methyl (E)-4-chloro-5-phenylsulphinylhept-4-enoate
CAS Registry Number 109574-06-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17ClO3S
InChI InChI=1S/C14H17ClO3S/c1-3-13(12(15)9-10-14(16)18-2)19(17)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3/b13-12+
InChIKey ZGGQUQPUJHAGKL-OUKQBFOZSA-N
Molecular Weight 300.800 g/mol
SMILES C(\C(=C\(S(=O)c1ccccc1)CC)Cl)CC(=O)OC
SPLASH splash10-004i-9470000000-c5073e45107d45ae2344
Source of Spectrum KC-1986-2002-0
Wiley ID 1302525