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Bicyclo[4.1.0]heptane-7-carboxylic acid, 3,3-dimethyl-2-oxo-, ethyl ester, (1.alpha.,6.alpha.,7.alpha.)-
SpectraBase Compound ID 3RVGhXSN9al
InChI InChI=1S/C12H18O3/c1-4-15-11(14)9-7-5-6-12(2,3)10(13)8(7)9/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m1/s1
InChIKey UWMKYGFJAWOJRI-VGMNWLOBSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID q4JBNX85sJ
Name Bicyclo[4.1.0]heptane-7-carboxylic acid, 3,3-dimethyl-2-oxo-, ethyl ester, (1.alpha.,6.alpha.,7.alpha.)-
CAS Registry Number 93239-58-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-4-15-11(14)9-7-5-6-12(2,3)10(13)8(7)9/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m1/s1
InChIKey UWMKYGFJAWOJRI-VGMNWLOBSA-N
Molecular Weight 210.273 g/mol
SMILES [C@@]12([C@@](C(=O)OCC)([C@@]2(CCC(C1=O)(C)C)[H])[H])[H]
SPLASH splash10-001i-9100000000-be5da3e8539313933c1b
Source of Spectrum H-67-1114-0
Synonyms Ethyl (1S,6R,7S)-3,3-dimethyl-2-oxobicyclo[4.1.0]heptane-7-carboxylate Ethyl ester of 3,3-dimethyl-2-oxobicyclo[4.1.0]heptan-7-exo-carboxylic acid
Wiley ID 1209163