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Methyl ester of 2-Oxo-3-(2-(phenylsulfinyl)ethyl)-12-vinyl-cyclododecancarboxylic acid
SpectraBase Compound ID 7LqHtInKVIQ
InChI InChI=1S/C24H34O4S/c1-3-19-13-9-6-4-5-7-10-14-20(23(25)22(19)24(26)28-2)17-18-29(27)21-15-11-8-12-16-21/h3,8,11-12,15-16,19-20,22H,1,4-7,9-10,13-14,17-18H2,2H3
InChIKey JXMFDFDXLNCKIF-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C24H34O4S
Exact Mass 418.217781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8mJvXXPQHc2
Name Methyl ester of 2-Oxo-3-(2-(phenylsulfinyl)ethyl)-12-vinyl-cyclododecancarboxylic acid
Alternate Name(s) Methyl 2-oxo-3-[2-(phenylsulfinyl)ethyl]-12-vinylcyclododecanecarboxylate
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Formula C24H34O4S
InChI InChI=1S/C24H34O4S/c1-3-19-13-9-6-4-5-7-10-14-20(23(25)22(19)24(26)28-2)17-18-29(27)21-15-11-8-12-16-21/h3,8,11-12,15-16,19-20,22H,1,4-7,9-10,13-14,17-18H2,2H3
InChIKey JXMFDFDXLNCKIF-UHFFFAOYSA-N
Molecular Weight 418.592 g/mol
SMILES C1(C(=O)C(CCS(=O)c2ccccc2)CCCCCCCCC1C=C)C(=O)OC
SPLASH splash10-056x-4970000000-c8b4ae3ce8764ab7af8c
Source of Spectrum H-62-2649-0
Wiley ID 1377254