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Ethyl ester of 2-Oxo-1-(2-(phenylsulfinyl)ethyl)-9-vinyl-cyclononancarboxylic acid
SpectraBase Compound ID K2wV3YWXmWk
InChI InChI=1S/C22H30O4S/c1-3-18-12-8-5-6-11-15-20(23)22(18,21(24)26-4-2)16-17-27(25)19-13-9-7-10-14-19/h3,7,9-10,13-14,18H,1,4-6,8,11-12,15-17H2,2H3
InChIKey KBJXIAXHWWDPMP-UHFFFAOYSA-N
Mol Weight 390.54 g/mol
Molecular Formula C22H30O4S
Exact Mass 390.186481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BmfjuktQIoA
Name Ethyl ester of 2-Oxo-1-(2-(phenylsulfinyl)ethyl)-9-vinyl-cyclononancarboxylic acid
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Formula C22H30O4S
InChI InChI=1S/C22H30O4S/c1-3-18-12-8-5-6-11-15-20(23)22(18,21(24)26-4-2)16-17-27(25)19-13-9-7-10-14-19/h3,7,9-10,13-14,18H,1,4-6,8,11-12,15-17H2,2H3
InChIKey KBJXIAXHWWDPMP-UHFFFAOYSA-N
Molecular Weight 390.538 g/mol
SMILES C1(C(=O)OCC)(CCS(=O)c2ccccc2)C(=O)CCCCCCC1C=C
SPLASH splash10-014i-0290000000-a0853e4c4fa116410590
Source of Spectrum H-62-2649-0
Synonyms Ethyl 2-oxo-1-[2-(phenylsulfinyl)ethyl]-9-vinylcyclononanecarboxylate
Wiley ID 1364846