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Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-ethyl-3,3-dimethyl-2-oxo-, ethyl ester, (1.alpha.,6.alpha.,7.alpha.)-
SpectraBase Compound ID 9QpSa6OzV1v
InChI InChI=1S/C14H22O3/c1-5-14(12(16)17-6-2)9-7-8-13(3,4)11(15)10(9)14/h9-10H,5-8H2,1-4H3/t9-,10-,14+/m1/s1
InChIKey HLCASSKPIWOCJI-RULNRJAQSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J4iBdNBoZe8
Name Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-ethyl-3,3-dimethyl-2-oxo-, ethyl ester, (1.alpha.,6.alpha.,7.alpha.)-
CAS Registry Number 93207-38-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-5-14(12(16)17-6-2)9-7-8-13(3,4)11(15)10(9)14/h9-10H,5-8H2,1-4H3/t9-,10-,14+/m1/s1
InChIKey HLCASSKPIWOCJI-RULNRJAQSA-N
Molecular Weight 238.327 g/mol
SMILES [C@@]1([C@]2(C(C(C)(C)CC[C@@]12[H])=O)[H])(C(=O)OCC)CC
SPLASH splash10-0bwc-9820000000-7ff49b30dde367f8976f
Source of Spectrum H-67-1115-0
Synonyms Ethyl (1S,6R,7S)-7-ethyl-3,3-dimethyl-2-oxobicyclo[4.1.0]heptane-7-carboxylate Ethyl ester of 7-ethyl-3,3-dimethyl-2-oxobicyclo[4.1.0]heptan-7-exo-carboxylic acid
Wiley ID 1240750