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Bicyclo[4.1.0]hepta-2,4-diene-7-carboxylic acid, 2,3,5,7-tetramethyl-, methyl ester, (1.alpha.,6.alpha.,7.alpha.)-
SpectraBase Compound ID Hr9OSFybuON
InChI InChI=1S/C13H18O2/c1-7-6-8(2)10-11(9(7)3)13(10,4)12(14)15-5/h6,10-11H,1-5H3/t10-,11+,13+/m1/s1
InChIKey FBYHPDNELNKVPQ-MDZLAQPJSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LT5KCO3pmAc
Name Bicyclo[4.1.0]hepta-2,4-diene-7-carboxylic acid, 2,3,5,7-tetramethyl-, methyl ester, (1.alpha.,6.alpha.,7.alpha.)-
Alternate Name(s) Methyl (1R,6S,7S)-2,3,5,7-tetramethylbicyclo[4.1.0]hepta-2,4-diene-7-carboxylate Methylester of: 2,3,5,7-tetramethyl-norcaradien-7-carbonic acid
CAS Registry Number 62528-62-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-7-6-8(2)10-11(9(7)3)13(10,4)12(14)15-5/h6,10-11H,1-5H3/t10-,11+,13+/m1/s1
InChIKey FBYHPDNELNKVPQ-MDZLAQPJSA-N
Molecular Weight 206.285 g/mol
SMILES [C@]1([C@@]2(C(=CC(=C([C@]12[H])C)C)C)[H])(C(=O)OC)C
SPLASH splash10-0002-0900000000-aa4637a52a90cac20f93
Source of Spectrum H-59-1786-9
Wiley ID 1204683