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Bicyclo[4.1.0]hepta-2,4-diene-7-carboxylic acid, 2,3,7-trimethyl-, methyl ester, (1.alpha.,6.alpha.,7.alpha.)-
SpectraBase Compound ID HS07kWSru60
InChI InChI=1S/C12H16O2/c1-7-5-6-9-10(8(7)2)12(9,3)11(13)14-4/h5-6,9-10H,1-4H3/t9-,10+,12+/m1/s1
InChIKey MSJQXZCPSJDDDT-SCVCMEIPSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPuIThRdp9W
Name Bicyclo[4.1.0]hepta-2,4-diene-7-carboxylic acid, 2,3,7-trimethyl-, methyl ester, (1.alpha.,6.alpha.,7.alpha.)-
CAS Registry Number 62528-59-0
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Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-7-5-6-9-10(8(7)2)12(9,3)11(13)14-4/h5-6,9-10H,1-4H3/t9-,10+,12+/m1/s1
InChIKey MSJQXZCPSJDDDT-SCVCMEIPSA-N
Molecular Weight 192.258 g/mol
SMILES [C@@]1([C@]2(C(=C(C)C=C[C@@]12[H])C)[H])(C(=O)OC)C
SPLASH splash10-001i-0900000000-caf0da30fb252ab49d6c
Source of Spectrum H-59-1779-4
Synonyms Methyl (1R,6R,7S)-2,3,7-trimethylbicyclo[4.1.0]hepta-2,4-diene-7-carboxylate Methyl ester of 2,3,7-trimethyl-norcaradien-7-carbonic acid
Wiley ID 1188605