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E and Z-(4R,5S,6S)-4-Methyl-3,5,6-tris(phenylthio)oct-2-ene
SpectraBase Compound ID 8UUgWq3IyCW
InChI InChI=1S/C27H30S3/c1-4-25(28-22-15-9-6-10-16-22)21(3)27(30-24-19-13-8-14-20-24)26(5-2)29-23-17-11-7-12-18-23/h4,6-21,26-27H,5H2,1-3H3/b25-4-
InChIKey FBCMZGGZAFGHPQ-UJOWUYHQSA-N
Mol Weight 450.72 g/mol
Molecular Formula C27H30S3
Exact Mass 450.150964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bztZGLU842
Name E and Z-(4R,5S,6S)-4-Methyl-3,5,6-tris(phenylthio)oct-2-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30S3
InChI InChI=1S/C27H30S3/c1-4-25(28-22-15-9-6-10-16-22)21(3)27(30-24-19-13-8-14-20-24)26(5-2)29-23-17-11-7-12-18-23/h4,6-21,26-27H,5H2,1-3H3/b25-4-
InChIKey FBCMZGGZAFGHPQ-UJOWUYHQSA-N
Molecular Weight 450.717 g/mol
SMILES C(\C(Sc1ccccc1)=C\C)(C(Sc1ccccc1)C(Sc1ccccc1)CC)C
SPLASH splash10-0007-0914000000-2ac357f3d6927cef2722
Source of Spectrum KC-0-2965-31
Synonyms ({(1Z)-1-[(1R,2S,3S)-1-methyl-2,3-bis(phenylsulfanyl)pentyl]-1-propenyl}sulfanyl)benzene E and Z-(4RS,5RS,6SR)-4-Methyl-3,5,6-tris(phenylthio)oct-2-ene E-(4RS,5RS,6SR)-4-Methyl-3,5,6-tris(phenylthio)oct-2-ene
Wiley ID 782359