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

*Links on SpectraBase are not permalinks.
1,3-Dioxolane, 2,2,4,4-tetramethyl-5-[3,7,11-trimethyl-13-(phenylthio)-3,7,11-tridecatrienyl]-, [S-(E,E,E)]-
SpectraBase Compound ID JkstX3de5Jq
InChI InChI=1S/C29H44O2S/c1-23(14-12-16-25(3)21-22-32-26-17-9-8-10-18-26)13-11-15-24(2)19-20-27-28(4,5)31-29(6,7)30-27/h8-10,14-15,17-18,21,27H,11-13,16,19-20,22H2,1-7H3/b23-14+,24-15+,25-21+/t27-/m0/s1
InChIKey KWZMIGUUAWRZPU-NXAXWTQASA-N
Mol Weight 456.7 g/mol
Molecular Formula C29H44O2S
Exact Mass 456.306202 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 HyE1gBVRdzu
Name 1,3-Dioxolane, 2,2,4,4-tetramethyl-5-[3,7,11-trimethyl-13-(phenylthio)-3,7,11-tridecatrienyl]-, [S-(E,E,E)]-
CAS Registry Number 116987-83-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44O2S
InChI InChI=1S/C29H44O2S/c1-23(14-12-16-25(3)21-22-32-26-17-9-8-10-18-26)13-11-15-24(2)19-20-27-28(4,5)31-29(6,7)30-27/h8-10,14-15,17-18,21,27H,11-13,16,19-20,22H2,1-7H3/b23-14+,24-15+,25-21+/t27-/m0/s1
InChIKey KWZMIGUUAWRZPU-NXAXWTQASA-N
Molecular Weight 456.729 g/mol
SMILES C1(OC(C)(C)[C@@](O1)(CC\C(=C\CC\C(=C\CC\C(=C\CSc1ccccc1)C)C)C)[H])(C)C
SPLASH splash10-05fu-9510000000-a99e56516a6408c75b6b
Source of Spectrum H-71-295-0
Synonyms (5S)-2,2,4,4-tetramethyl-5-[(3E,7E,11E)-3,7,11-trimethyl-13-(phenylsulfanyl)-3,7,11-tridecatrienyl]-1,3-dioxolane phenyl (2E,6E,10E)-3,7,11-trimethyl-13-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-2,6,10-tridecatrienyl sulfide Phenyl[(4'S,all-E)-3,7,11-trimethyl-13-(2',2',5',5'-tetramethyl-1',3'-dioxolan-4'-yl]-2,6,10-tridecatrienyl]sulfide
Wiley ID 1389419