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4aH-Benzocycloheptene-4a-carboxylic acid, 2,3,4,5,6,7,8,9-octahydro-4,4-dimethyl-2-oxo-, methyl ester
SpectraBase Compound ID 7RkGab9GoL7
InChI InChI=1S/C15H22O3/c1-14(2)10-12(16)9-11-7-5-4-6-8-15(11,14)13(17)18-3/h9H,4-8,10H2,1-3H3
InChIKey ZIQGMLAMMVNOKN-UHFFFAOYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9GOJ8Iu7mpE
Name 4aH-Benzocycloheptene-4a-carboxylic acid, 2,3,4,5,6,7,8,9-octahydro-4,4-dimethyl-2-oxo-, methyl ester
CAS Registry Number 87307-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-14(2)10-12(16)9-11-7-5-4-6-8-15(11,14)13(17)18-3/h9H,4-8,10H2,1-3H3
InChIKey ZIQGMLAMMVNOKN-UHFFFAOYSA-N
Molecular Weight 250.338 g/mol
SMILES C12(C(=CC(CC2(C)C)=O)CCCCC1)C(=O)OC
SPLASH splash10-014i-0930000000-072c9df7532d5d77ce02
Source of Spectrum J-48-4647-0
Synonyms 1-Carbomethoxy-11,11-dimethylbicyclo[5.4.0]undec-7-en-9-one Methyl 4,4-dimethyl-2-oxo-2,3,4,5,6,7,8,9-octahydro-4aH-benzo[a]cycloheptene-4a-carboxylate
Wiley ID 1253580