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

*Links on SpectraBase are not permalinks.
Propanoic acid, 3-(3,4,6-trimethyl-2,5-dioxocyclohexa-3,6-dienyl)-, 4,7,7-trimethyl-2-bicyclo[2.2.1]heptyl ester
SpectraBase Compound ID L0F7uRnR13O
InChI InChI=1S/C22H30O4/c1-12-13(2)20(25)15(14(3)19(12)24)7-8-18(23)26-17-11-22(6)10-9-16(17)21(22,4)5/h16-17H,7-11H2,1-6H3/t16-,17+,22+/m1/s1
InChIKey MPOWMMYEHXQEEA-JLHGSKIFSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 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 KspQklsrozC
Name Propanoic acid, 3-(3,4,6-trimethyl-2,5-dioxocyclohexa-3,6-dienyl)-, 4,7,7-trimethyl-2-bicyclo[2.2.1]heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-12-13(2)20(25)15(14(3)19(12)24)7-8-18(23)26-17-11-22(6)10-9-16(17)21(22,4)5/h16-17H,7-11H2,1-6H3/t16-,17+,22+/m1/s1
InChIKey MPOWMMYEHXQEEA-JLHGSKIFSA-N
Molecular Weight 358.478 g/mol
SMILES C1(=C(C)C(=O)C(C)=C(CCC(O[C@@]2([C@]3(CC[C@](C3(C)C)(C2)C)[H])[H])=O)C1=O)C
SPLASH splash10-052r-6920000000-0e95e34b9c6f8950f173
Source of Spectrum AD-0-2532-0
Synonyms (4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propanoate (4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]propanoate (4,7,7-trimethylnorbornan-2-yl) 3-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)propanoate 3-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)propanoic acid (4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) ester 3-(3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)propionic acid 3-bornyl ester 4,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 3-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)propanoate
Wiley ID 1427266