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

*Links on SpectraBase are not permalinks.
Bicyclo[3.1.0]hexane-6-carboxylic acid, 1,4,4-trimethyl-2-oxo-, methyl ester, (1.alpha.,5.alpha.,6.alpha.)-(.+-.)-
SpectraBase Compound ID xeCsD5jcxc
InChI InChI=1S/C11H16O3/c1-10(2)5-6(12)11(3)7(8(10)11)9(13)14-4/h7-8H,5H2,1-4H3/t7-,8-,11-/m1/s1
InChIKey YCSWASMBBMOGOF-SOCHQFKDSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 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 B0DXMvStFzM
Name Bicyclo[3.1.0]hexane-6-carboxylic acid, 1,4,4-trimethyl-2-oxo-, methyl ester, (1.alpha.,5.alpha.,6.alpha.)-(.+-.)-
CAS Registry Number 58795-38-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-10(2)5-6(12)11(3)7(8(10)11)9(13)14-4/h7-8H,5H2,1-4H3/t7-,8-,11-/m1/s1
InChIKey YCSWASMBBMOGOF-SOCHQFKDSA-N
Molecular Weight 196.246 g/mol
SMILES [C@@]12([C@](C(C)(C)CC2=O)([H])[C@@]1(C(=O)OC)[H])C
SPLASH splash10-004s-4900000000-c411858f1852b0199a7f
Source of Spectrum H-59-93-12
Synonyms Methyl ester of-1b.alpha.,4,4-trimethyl-2-oxo-bicyclo[3.1.0]hexan-6b.alpha.-carbonic acid Methyl (1S,5R,6S)-1,4,4-trimethyl-2-oxobicyclo[3.1.0]hexane-6-carboxylate Bicyclo[3.1.0]hexane-6-carboxylic acid, 1,4,4-trimethyl-2-oxo-, methyl ester, (1.alpha.,5.alpha.,6.alpha.)-, (.+-.)- Methyl ester of-1.beta.,4,4-trimethyl-2-oxo-bicyclo[3.1.0]hexan-6.alpha.(b)-carbonic acid
Wiley ID 1193101