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Bicyclo[4.1.0]heptane-7-carboxylic acid, 3,3,7-trimethyl-2-oxo-, ethyl ester, (1.alpha.,6.alpha.,7.alpha.)-
SpectraBase Compound ID JxhbaYbvSPd
InChI InChI=1S/C13H20O3/c1-5-16-11(15)13(4)8-6-7-12(2,3)10(14)9(8)13/h8-9H,5-7H2,1-4H3/t8-,9-,13+/m1/s1
InChIKey OQQPQNYCOUMTMQ-KKFJDGPESA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBCOrTYkGug
Name Bicyclo[4.1.0]heptane-7-carboxylic acid, 3,3,7-trimethyl-2-oxo-, ethyl ester, (1.alpha.,6.alpha.,7.alpha.)-
Alternate Name(s) Ethyl (1S,6R,7S)-3,3,7-trimethyl-2-oxobicyclo[4.1.0]heptane-7-carboxylate Ethyl ester of 3,3,7-trimethyl-2-oxobicyclo[4.1.0]heptan-7-exo-carboxylic acid
CAS Registry Number 93207-36-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-5-16-11(15)13(4)8-6-7-12(2,3)10(14)9(8)13/h8-9H,5-7H2,1-4H3/t8-,9-,13+/m1/s1
InChIKey OQQPQNYCOUMTMQ-KKFJDGPESA-N
Molecular Weight 224.300 g/mol
SMILES [C@@]1([C@]2(C(C(C)(C)CC[C@@]12[H])=O)[H])(C(=O)OCC)C
SPLASH splash10-0005-9600000000-21418a991e8af3dd2d98
Source of Spectrum H-67-1115-0
Wiley ID 1225248