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

*Links on SpectraBase are not permalinks.

6'-[(o-Methoxyphenyl)methyl]-6,6-dimethyl-bicyclo[3.1.1]heptyl-3-oxobutyrate

View entire compound with spectra: 1 MS (GC)

6'-[(o-Methoxyphenyl)methyl]-6,6-dimethyl-bicyclo[3.1.1]heptyl-3-oxobutyrate
SpectraBase Compound ID 7pZf9VhE3tt
InChI InChI=1S/C21H28O4/c1-13(22)9-19(23)25-20-15(11-16-12-17(20)21(16,2)3)10-14-7-5-6-8-18(14)24-4/h5-8,15-17,20H,9-12H2,1-4H3/t15-,16+,17+,20-/m1/s1
InChIKey YXQXVQBWYQHDMA-NHAYFPRASA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 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 HWg2Ku9SdOc
Name 6'-[(o-Methoxyphenyl)methyl]-6,6-dimethyl-bicyclo[3.1.1]heptyl-3-oxobutyrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-13(22)9-19(23)25-20-15(11-16-12-17(20)21(16,2)3)10-14-7-5-6-8-18(14)24-4/h5-8,15-17,20H,9-12H2,1-4H3/t15-,16+,17+,20-/m1/s1
InChIKey YXQXVQBWYQHDMA-NHAYFPRASA-N
Molecular Weight 344.451 g/mol
SMILES [C@]12(C(C)(C)[C@](C2)(C[C@]([C@]1(OC(CC(=O)C)=O)[H])(Cc1c(OC)cccc1)[H])[H])[H]
SPLASH splash10-00di-0910000000-26db136c74e2d9f17aac
Source of Spectrum SK-30-463-7
Synonyms (1R,2R,3S,5S)-3-(2-methoxybenzyl)-6,6-dimethylbicyclo[3.1.1]hept-2-yl 3-oxobutanoate 3-ketobutyric acid[(1R,2R,3S,5S)-6,6-dimethyl-3-o-anisyl-norpinan-2-yl]ester 3-Oxobutanoic acid[(1S,3S,4R,5R)-3-[(2-methoxyphenyl)methyl]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]ester 6'-[(o-Methoxyphenyl)methyl]-menthyl 3-oxobutyrate [(1R,2R,3S,5S)-3-[(2-methoxyphenyl)methyl]-6,6-dimethyl-norpinan-2-yl]3-oxobutanoate [(1S,3S,4R,5R)-3-[(2-methoxyphenyl)methyl]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]3-oxidanylidenebutanoate [(1S,3S,4R,5R)-3-[(2-methoxyphenyl)methyl]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]3-oxobutanoate 3-Oxobutanoic acid [(1S,3S,4R,5R)-3-[(2-methoxyphenyl)methyl]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl] ester [(1S,3S,4R,5R)-3-[(2-methoxyphenyl)methyl]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl] 3-oxobutanoate [(1R,2R,3S,5S)-3-[(2-methoxyphenyl)methyl]-6,6-dimethyl-norpinan-2-yl] 3-oxobutanoate [(1S,3S,4R,5R)-3-[(2-methoxyphenyl)methyl]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl] 3-oxidanylidenebutanoate
Wiley ID 881004