For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(E) and (Z)-(4R,5S)-4,6-Dimethyl-3,5,6-tris(phenylthio)hept-2-ene
SpectraBase Compound ID E2HELAo2zgs
InChI InChI=1S/C27H30S3/c1-5-25(28-22-15-9-6-10-16-22)21(2)26(29-23-17-11-7-12-18-23)27(3,4)30-24-19-13-8-14-20-24/h5-21,26H,1-4H3/b25-5+
InChIKey MBABLKQTJDRMJZ-VVAXDPKNSA-N
Mol Weight 450.72 g/mol
Molecular Formula C27H30S3
Exact Mass 450.150964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 56kfXBRx8i
Name (E) and (Z)-(4R,5S)-4,6-Dimethyl-3,5,6-tris(phenylthio)hept-2-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30S3
InChI InChI=1S/C27H30S3/c1-5-25(28-22-15-9-6-10-16-22)21(2)26(29-23-17-11-7-12-18-23)27(3,4)30-24-19-13-8-14-20-24/h5-21,26H,1-4H3/b25-5+
InChIKey MBABLKQTJDRMJZ-VVAXDPKNSA-N
Molecular Weight 450.717 g/mol
SMILES C(\C(Sc1ccccc1)=C/C)(C(C(Sc1ccccc1)(C)C)Sc1ccccc1)C
SPLASH splash10-001l-0493000000-cf917b7bf336cb4adef5
Source of Spectrum KC-0-2960-17
Synonyms (E) and (Z)-(4RS,5RS)-4,6-Dimethyl-3,5,6-tris(phenylthio)hept-2-ene (E)-(4RS,5RS)-4,6-Dimethyl-3,5,6-tris(phenylthio)hept-2-ene ({(1E)-1-[(1S,2S)-1,3-dimethyl-2,3-bis(phenylsulfanyl)butyl]-1-propenyl}sulfanyl)benzene
Wiley ID 782389