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8aH-1-Benzopyran-8a-carboxylic acid, 2,4a,5,8-tetrahydro-6,7-dimethyl-2-oxo-, methyl ester
SpectraBase Compound ID 9PzmseOnfSv
InChI InChI=1S/C13H16O4/c1-8-6-10-4-5-11(14)17-13(10,7-9(8)2)12(15)16-3/h4-5,10H,6-7H2,1-3H3
InChIKey CQUZWBJUOMBYJX-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2446C0R7UCM
Name 8aH-1-Benzopyran-8a-carboxylic acid, 2,4a,5,8-tetrahydro-6,7-dimethyl-2-oxo-, methyl ester
CAS Registry Number 68161-04-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-8-6-10-4-5-11(14)17-13(10,7-9(8)2)12(15)16-3/h4-5,10H,6-7H2,1-3H3
InChIKey CQUZWBJUOMBYJX-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C12(OC(=O)C=CC2CC(C)=C(C1)C)C(=O)OC
SPLASH splash10-0059-9810000000-ddcffaecd519d9f3feaa
Source of Spectrum F-34-1899-0
Synonyms 3-Oxa-6-methoxy carbonyl-8,9-dimethyl-8,9-dimethyl bicyclo(4.4.1)decan-4,8-diene-2-one Methyl 6,7-dimethyl-2-oxo-2,4a,5,8-tetrahydro-8aH-chromene-8a-carboxylate
Wiley ID 1238045