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(3E,7E)-2-(benzenesulfonyl)-4,8,12-trimethyltrideca-3,7,11-trienoic acid methyl ester
SpectraBase Compound ID LlUtusctQAP
InChI InChI=1S/C23H32O4S/c1-18(2)11-9-12-19(3)13-10-14-20(4)17-22(23(24)27-5)28(25,26)21-15-7-6-8-16-21/h6-8,11,13,15-17,22H,9-10,12,14H2,1-5H3/b19-13+,20-17+
InChIKey ZAIYOJYPBUHTSA-NJCQIAOXSA-N
Mol Weight 404.6 g/mol
Molecular Formula C23H32O4S
Exact Mass 404.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QRQ5otvAtr
Name (3E,7E)-2-(benzenesulfonyl)-4,8,12-trimethyltrideca-3,7,11-trienoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O4S
InChI InChI=1S/C23H32O4S/c1-18(2)11-9-12-19(3)13-10-14-20(4)17-22(23(24)27-5)28(25,26)21-15-7-6-8-16-21/h6-8,11,13,15-17,22H,9-10,12,14H2,1-5H3/b19-13+,20-17+
InChIKey ZAIYOJYPBUHTSA-NJCQIAOXSA-N
Molecular Weight 404.565 g/mol
SMILES C(C(\C=C\(CC\C=C\(CCC=C(C)C)C)C)S(=O)(=O)c1ccccc1)(=O)OC
SPLASH splash10-0159-9000000000-0b3ff1e1becd9e0225b4
Source of Spectrum SO-0-716-6
Synonyms (3E,7E)-2-besyl-4,8,12-trimethyl-trideca-3,7,11-trienoic acid methyl ester Methyl (3E,7E)-2-(benzenesulfonyl)-4,8,12-trimethyl-trideca-3,7,11-trienoate Methyl (3E,7E)-4,8,12-trimethyl-2-(phenylsulfonyl)trideca-3,7,11-trienoate
Wiley ID 1544948