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Bicyclo[3.1.0]hexane-2-carboxylic acid, 5-(1-methylethyl)-, methyl ester, (1.alpha.,2.alpha.,5.alpha.)-
SpectraBase Compound ID 3DDSTNfHEPv
InChI InChI=1S/C11H18O2/c1-7(2)11-5-4-8(9(11)6-11)10(12)13-3/h7-9H,4-6H2,1-3H3/t8-,9+,11+/m1/s1
InChIKey GJEWBHJEJDMFEE-YWVKMMECSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rXQhNBfAu
Name Bicyclo[3.1.0]hexane-2-carboxylic acid, 5-(1-methylethyl)-, methyl ester, (1.alpha.,2.alpha.,5.alpha.)-
Alternate Name(s) cis-thujan-10-oic acid methyl ester Methyl (1S,2R,5S)-5-isopropylbicyclo[3.1.0]hexane-2-carboxylate
CAS Registry Number 67246-65-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-7(2)11-5-4-8(9(11)6-11)10(12)13-3/h7-9H,4-6H2,1-3H3/t8-,9+,11+/m1/s1
InChIKey GJEWBHJEJDMFEE-YWVKMMECSA-N
Molecular Weight 182.263 g/mol
SMILES [C@]12([C@@]([C@](C(=O)OC)(CC2)[H])([H])C1)C(C)C
SPLASH splash10-00gi-9500000000-d3b39d084d2dc668041c
Source of Spectrum D4-59-6-0
Wiley ID 1178703