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Oxirane, 2,2-dimethyl-3-[3,7,11-trimethyl-13-(phenylthio)-3,7,11-tridecatrienyl]-, [R-(E,E,E)]-
SpectraBase Compound ID 8CB9qDkyZoZ
InChI InChI=1S/C26H38OS/c1-21(11-9-13-22(2)17-18-25-26(4,5)27-25)12-10-14-23(3)19-20-28-24-15-7-6-8-16-24/h6-8,12-13,15-16,19,25H,9-11,14,17-18,20H2,1-5H3/b21-12+,22-13+,23-19+/t25-/m1/s1
InChIKey VLBGZTZRFVSBJH-QLTYKXGSSA-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 5tdqmmkqaly
Name Oxirane, 2,2-dimethyl-3-[3,7,11-trimethyl-13-(phenylthio)-3,7,11-tridecatrienyl]-, [R-(E,E,E)]-
CAS Registry Number 117065-18-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38OS
InChI InChI=1S/C26H38OS/c1-21(11-9-13-22(2)17-18-25-26(4,5)27-25)12-10-14-23(3)19-20-28-24-15-7-6-8-16-24/h6-8,12-13,15-16,19,25H,9-11,14,17-18,20H2,1-5H3/b21-12+,22-13+,23-19+/t25-/m1/s1
InChIKey VLBGZTZRFVSBJH-QLTYKXGSSA-N
Molecular Weight 398.649 g/mol
SMILES C1(O[C@@]1(CC\C(=C\CC\C(=C\CC\C(=C\CSc1ccccc1)C)C)C)[H])(C)C
SPLASH splash10-007o-9200000000-991a43550e3f7c32db43
Source of Spectrum H-71-296-0
Synonyms (2E,6E,10E)-13-[(2R)-3,3-dimethyloxiranyl]-3,7,11-trimethyl-2,6,10-tridecatrienyl phenyl sulfide (3R)-2,2-dimethyl-3-[(3E,7E,11E)-3,7,11-trimethyl-13-(phenylsulfanyl)-3,7,11-tridecatrienyl]oxirane [(14R,all-E)-14,15-epoxy-3,7,11,15-tetramethyl-2,6,10-hexadecatrienyl]-phenyl-sulfide
Wiley ID 1368651