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2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-9-(phenylsulfonyl)-, methyl ester, (E,E)-
SpectraBase Compound ID CcQvP5pRfDl
InChI InChI=1S/C22H30O4S/c1-17(2)14-21(27(24,25)20-12-7-6-8-13-20)15-18(3)10-9-11-19(4)16-22(23)26-5/h6-8,10,12-14,16,21H,9,11,15H2,1-5H3/b18-10+,19-16+
InChIKey SWZKOXBFFUBPNG-MXVZNEBHSA-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 K0I2obsM7ME
Name 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-9-(phenylsulfonyl)-, methyl ester, (E,E)-
CAS Registry Number 57683-66-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O4S
InChI InChI=1S/C22H30O4S/c1-17(2)14-21(27(24,25)20-12-7-6-8-13-20)15-18(3)10-9-11-19(4)16-22(23)26-5/h6-8,10,12-14,16,21H,9,11,15H2,1-5H3/b18-10+,19-16+
InChIKey SWZKOXBFFUBPNG-MXVZNEBHSA-N
Molecular Weight 390.538 g/mol
SMILES COC(=O)\C=C/(C)CC\C=C/(C)CC(C=C(C)C)S(=O)(=O)c1ccccc1
SPLASH splash10-000l-3930000000-165f0748eef34243c58c
Source of Spectrum C-100-3434-0
Synonyms Methyl (2E,6E)-3,7,11-trimethyl-9-(phenylsulfonyl)-2,6,10-dodecatrienoate (2E,6E)-9-(benzenesulfonyl)-3,7,11-trimethyldodeca-2,6,10-trienoic acid methyl ester (2E,6E)-9-besyl-3,7,11-trimethyl-dodeca-2,6,10-trienoic acid methyl ester Methyl (2E,6E)-3,7,11-trimethyl-9-(phenylsulfonyl)dodeca-2,6,10-trienoate Methyl (2E,6E)-9-(benzenesulfonyl)-3,7,11-trimethyl-dodeca-2,6,10-trienoate
Wiley ID 1364845