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

*Links on SpectraBase are not permalinks.
(E)-6-Methyl-5,5-bis(phenylsulfonyl)octa-2,7-dien-1-yl acetate
SpectraBase Compound ID 59DTg7Hlloz
InChI InChI=1S/C23H26O6S2/c1-4-19(2)23(17-11-12-18-29-20(3)24,30(25,26)21-13-7-5-8-14-21)31(27,28)22-15-9-6-10-16-22/h4-16,19H,1,17-18H2,2-3H3/b12-11+
InChIKey IZRFHWNSKWCRCA-VAWYXSNFSA-N
Mol Weight 462.58 g/mol
Molecular Formula C23H26O6S2
Exact Mass 462.117081 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 9FkJ5nfCJlU
Name (E)-6-Methyl-5,5-bis(phenylsulfonyl)octa-2,7-dien-1-yl acetate
Alternate Name(s) (2E)-6-methyl-5,5-bis(phenylsulfonyl)-2,7-octadienyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O6S2
InChI InChI=1S/C23H26O6S2/c1-4-19(2)23(17-11-12-18-29-20(3)24,30(25,26)21-13-7-5-8-14-21)31(27,28)22-15-9-6-10-16-22/h4-16,19H,1,17-18H2,2-3H3/b12-11+
InChIKey IZRFHWNSKWCRCA-VAWYXSNFSA-N
Molecular Weight 462.575 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(S(=O)(=O)c1ccccc1)(C(C=C)C)C\C=C\COC(=O)C
SPLASH splash10-016u-0900000000-6ee85ac529ec287fa524
Source of Spectrum H-80-2054-7
Wiley ID 1390966