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

*Links on SpectraBase are not permalinks.
2-[(1R)-1,5,5-trimethyl-6-methylene-2-oxo-1-cyclohex-3-enyl]acetic acid methyl ester
SpectraBase Compound ID AIykVHiNc9b
InChI InChI=1S/C13H18O3/c1-9-12(2,3)7-6-10(14)13(9,4)8-11(15)16-5/h6-7H,1,8H2,2-5H3/t13-/m1/s1
InChIKey HEENNYSWBRXHIT-CYBMUJFWSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 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 37jaqOn2bgs
Name 2-[(1R)-1,5,5-trimethyl-6-methylene-2-oxo-1-cyclohex-3-enyl]acetic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9-12(2,3)7-6-10(14)13(9,4)8-11(15)16-5/h6-7H,1,8H2,2-5H3/t13-/m1/s1
InChIKey HEENNYSWBRXHIT-CYBMUJFWSA-N
Molecular Weight 222.284 g/mol
SMILES [C@@]1(C(C(C)(C)C=CC1=O)=C)(CC(=O)OC)C
SPLASH splash10-00fv-1900000000-6ef2574cba63daa2320e
Source of Spectrum J-66-7104-14
Synonyms 2-[(1R)-2-keto-1,5,5-trimethyl-6-methylene-cyclohex-3-en-1-yl]acetic acid methyl ester Methyl 2-[(1R)-1,5,5-trimethyl-6-methylene-2-oxo-cyclohex-3-en-1-yl]acetate Methyl 2-[(1R)-1,5,5-trimethyl-6-methylidene-2-oxidanylidene-cyclohex-3-en-1-yl]ethanoate Methyl 2-[(1R)-1,5,5-trimethyl-6-methylidene-2-oxocyclohex-3-en-1-yl]acetate
Wiley ID 1536007