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Methyl ester of 2-Oxo-1-(2-(phenylsulfinyl)ethyl)-15-vinyl-cyclopentadecancarboxylic acid
SpectraBase Compound ID LRkfwV8jB8r
InChI InChI=1S/C27H40O4S/c1-3-23-17-13-10-8-6-4-5-7-9-11-16-20-25(28)27(23,26(29)31-2)21-22-32(30)24-18-14-12-15-19-24/h3,12,14-15,18-19,23H,1,4-11,13,16-17,20-22H2,2H3
InChIKey USGUVXSBCAVAFO-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C27H40O4S
Exact Mass 460.264731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6IVsLC6QVR0
Name Methyl ester of 2-Oxo-1-(2-(phenylsulfinyl)ethyl)-15-vinyl-cyclopentadecancarboxylic acid
Alternate Name(s) Methyl 2-oxo-1-[2-(phenylsulfinyl)ethyl]-15-vinylcyclopentadecanecarboxylate
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Formula C27H40O4S
InChI InChI=1S/C27H40O4S/c1-3-23-17-13-10-8-6-4-5-7-9-11-16-20-25(28)27(23,26(29)31-2)21-22-32(30)24-18-14-12-15-19-24/h3,12,14-15,18-19,23H,1,4-11,13,16-17,20-22H2,2H3
InChIKey USGUVXSBCAVAFO-UHFFFAOYSA-N
Molecular Weight 460.673 g/mol
SMILES C1(C(=O)OC)(CCS(=O)c2ccccc2)C(=O)CCCCCCCCCCCCC1C=C
SPLASH splash10-000i-0119000000-d77720265e8ef5dd2f31
Source of Spectrum H-62-2651-0
Wiley ID 1390548