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Bicyclo[4.1.0]hept-2-ene-7-carboxylic acid, 4,4,7-trimethyl-5-oxo-,ethyl ester, (1.alpha.,6.alpha.,7.alpha.)-
SpectraBase Compound ID 28gHuN6atMk
InChI InChI=1S/C13H18O3/c1-5-16-11(15)13(4)8-6-7-12(2,3)10(14)9(8)13/h6-9H,5H2,1-4H3/t8-,9-,13+/m0/s1
InChIKey SMYCQDXAMQSTOW-MWODSPESSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FADZNvqfdwW
Name Bicyclo[4.1.0]hept-2-ene-7-carboxylic acid, 4,4,7-trimethyl-5-oxo-,ethyl ester, (1.alpha.,6.alpha.,7.alpha.)-
CAS Registry Number 93207-35-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-5-16-11(15)13(4)8-6-7-12(2,3)10(14)9(8)13/h6-9H,5H2,1-4H3/t8-,9-,13+/m0/s1
InChIKey SMYCQDXAMQSTOW-MWODSPESSA-N
Molecular Weight 222.284 g/mol
SMILES [C@]1([C@@]2(C(C(C)(C)C=C[C@]12[H])=O)[H])(C(=O)OCC)C
SPLASH splash10-0596-3900000000-f28a4848f6fcd1eb5602
Source of Spectrum H-67-1115-0
Synonyms Ethyl (1S,6R,7R)-4,4,7-trimethyl-5-oxobicyclo[4.1.0]hept-2-ene-7-carboxylate Ethyl ester of 4,4,7-trimethyl-5-oxo-bicyclo[4.1.0]hept-2-en-7-endo-carboxylic acid Ethyl ester of 4,4,7-trimethyl-5-oxobicyclo[4.1.0]hept-2-en-7-exo-carboxylicacid
Wiley ID 1222537