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(3E,7E,11E)-1-isopropyl-4,8,12-trimethyl-2-(phenylthio)cyclotetradeca-3,7,11-trien-1-ol
SpectraBase Compound ID IZ1ez6O4A21
InChI InChI=1S/C26H38OS/c1-20(2)26(27)18-17-22(4)13-9-11-21(3)12-10-14-23(5)19-25(26)28-24-15-7-6-8-16-24/h6-8,12-13,15-16,19-20,25,27H,9-11,14,17-18H2,1-5H3/b21-12+,22-13+,23-19+
InChIKey VKXNERVHLDTQMD-YISVINQMSA-N
Mol Weight 398.6 g/mol
Molecular Formula C26H38OS
Exact Mass 398.264337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4StHrHf4Pa
Name (3E,7E,11E)-1-isopropyl-4,8,12-trimethyl-2-(phenylthio)cyclotetradeca-3,7,11-trien-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38OS
InChI InChI=1S/C26H38OS/c1-20(2)26(27)18-17-22(4)13-9-11-21(3)12-10-14-23(5)19-25(26)28-24-15-7-6-8-16-24/h6-8,12-13,15-16,19-20,25,27H,9-11,14,17-18H2,1-5H3/b21-12+,22-13+,23-19+
InChIKey VKXNERVHLDTQMD-YISVINQMSA-N
Molecular Weight 398.649 g/mol
SMILES OC1(C(\C=C\(CC\C=C\(CC\C=C\(CC1)C)C)C)Sc1ccccc1)C(C)C
SPLASH splash10-0fl0-9200000000-9a0485cd6df3098700f8
Source of Spectrum AT-34-2800-6
Synonyms (3E,7E,11E)-1-isopropyl-4,8,12-trimethyl-2-phenylsulfanyl-cyclotetradeca-3,7,11-trien-1-ol (3E,7E,11E)-4,8,12-trimethyl-2-(phenylthio)-1-propan-2-yl-1-cyclotetradeca-3,7,11-trienol (3E,7E,11E)-4,8,12-trimethyl-2-phenylsulfanyl-1-propan-2-yl-cyclotetradeca-3,7,11-trien-1-ol
Wiley ID 852444