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5-Heptenoic acid, 3-methyl-4-(phenylsulfinyl)-, methyl ester
SpectraBase Compound ID Iwa7aNJZJiH
InChI InChI=1S/C15H20O3S/c1-4-8-14(12(2)11-15(16)18-3)19(17)13-9-6-5-7-10-13/h4-10,12,14H,11H2,1-3H3/b8-4-
InChIKey ZZSJACFNTGLWKR-YWEYNIOJSA-N
Mol Weight 280.38 g/mol
Molecular Formula C15H20O3S
Exact Mass 280.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77OqqGFzt7P
Name 5-Heptenoic acid, 3-methyl-4-(phenylsulfinyl)-, methyl ester
CAS Registry Number 127457-86-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3S
InChI InChI=1S/C15H20O3S/c1-4-8-14(12(2)11-15(16)18-3)19(17)13-9-6-5-7-10-13/h4-10,12,14H,11H2,1-3H3/b8-4-
InChIKey ZZSJACFNTGLWKR-YWEYNIOJSA-N
Molecular Weight 280.382 g/mol
SMILES C(S(=O)c1ccccc1)(C(CC(=O)OC)C)\C=C/C
SPLASH splash10-056v-9200000000-6e28046acd81244c87c3
Source of Spectrum B-42-1792-16
Synonyms Methyl (5Z)-3-methyl-4-(phenylsulfinyl)-5-heptenoate Methyl 3-methyl-4-(phenylsulfinyl)hept-5-enoate
Wiley ID 1283774