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2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-9-(phenylsulfonyl)-, (E,E)-
SpectraBase Compound ID FJR6sYlZgnn
InChI InChI=1S/C21H30O3S/c1-17(2)15-21(25(23,24)20-11-6-5-7-12-20)16-19(4)10-8-9-18(3)13-14-22/h5-7,10-13,15,21-22H,8-9,14,16H2,1-4H3/b18-13+,19-10+
InChIKey QFDXZSAOHRHYSQ-VAKGXLRMSA-N
Mol Weight 362.53 g/mol
Molecular Formula C21H30O3S
Exact Mass 362.191566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpdjGh7uv84
Name 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-9-(phenylsulfonyl)-, (E,E)-
CAS Registry Number 57683-67-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O3S
InChI InChI=1S/C21H30O3S/c1-17(2)15-21(25(23,24)20-11-6-5-7-12-20)16-19(4)10-8-9-18(3)13-14-22/h5-7,10-13,15,21-22H,8-9,14,16H2,1-4H3/b18-13+,19-10+
InChIKey QFDXZSAOHRHYSQ-VAKGXLRMSA-N
Molecular Weight 362.528 g/mol
SMILES OC\C=C\(CC\C=C\(CC(C=C(C)C)S(=O)(=O)c1ccccc1)C)C
SPLASH splash10-05pc-9600000000-fb28af451adae1390df9
Source of Spectrum C-100-3434-0
Synonyms (2E,6E)-3,7,11-Trimethyl-9-(phenylsulfonyl)-2,6,10-dodecatrien-1-ol (2E,6E)-3,7,11-trimethyl-9-(phenylsulfonyl)dodeca-2,6,10-trien-1-ol (2E,6E)-9-(benzenesulfonyl)-3,7,11-trimethyl-1-dodeca-2,6,10-trienol (2E,6E)-9-(benzenesulfonyl)-3,7,11-trimethyl-dodeca-2,6,10-trien-1-ol (2E,6E)-9-besyl-3,7,11-trimethyl-dodeca-2,6,10-trien-1-ol
Wiley ID 1349697