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

*Links on SpectraBase are not permalinks.
2-Propenoic acid, 3-[2,6,6-trimethyl-4-[[(4-methylphenyl)sulfonyl]oxy]-3-oxo-1-cyclohex en-1-yl]-, methyl ester, (E)-
SpectraBase Compound ID IoInEO6oV1k
InChI InChI=1S/C20H24O6S/c1-13-6-8-15(9-7-13)27(23,24)26-17-12-20(3,4)16(14(2)19(17)22)10-11-18(21)25-5/h6-11,17H,12H2,1-5H3/b11-10+
InChIKey LFHHLVVSPLUWLX-ZHACJKMWSA-N
Mol Weight 392.47 g/mol
Molecular Formula C20H24O6S
Exact Mass 392.12936 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 B2TkIZENAhc
Name 2-Propenoic acid, 3-[2,6,6-trimethyl-4-[[(4-methylphenyl)sulfonyl]oxy]-3-oxo-1-cyclohex en-1-yl]-, methyl ester, (E)-
Alternate Name(s) (E)-3-(2',6',6'-trimethyl-3'-oxo-4'-tosyloxy-1'-cyclohexen-1'-yl)-2-propenoic acid methyl ester Methyl (2E)-3-(2,6,6-trimethyl-4-{[(4-methylphenyl)sulfonyl]oxy}-3-oxo-1-cyclohexen-1-yl)-2-propenoate
CAS Registry Number 70412-72-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O6S
InChI InChI=1S/C20H24O6S/c1-13-6-8-15(9-7-13)27(23,24)26-17-12-20(3,4)16(14(2)19(17)22)10-11-18(21)25-5/h6-11,17H,12H2,1-5H3/b11-10+
InChIKey LFHHLVVSPLUWLX-ZHACJKMWSA-N
Molecular Weight 392.466 g/mol
SMILES C1(OS(c2ccc(cc2)C)(=O)=O)C(C(C)=C(C(C1)(C)C)\C=C\C(=O)OC)=O
SPLASH splash10-05nf-3920000000-1f5f75e87c454a5c4f47
Source of Spectrum H-62-575-0
Wiley ID 1365711