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1H-2-Benzopyran-3-carboxylic acid, 4a,5,8,8a-tetrahydro-6,7-dimethyl-1-oxo-, methyl ester
SpectraBase Compound ID 2LWYmVtRFhA
InChI InChI=1S/C13H16O4/c1-7-4-9-6-11(13(15)16-3)17-12(14)10(9)5-8(7)2/h6,9-10H,4-5H2,1-3H3
InChIKey ZHNZRXVUGFRVQU-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 58WllK579Rz
Name 1H-2-Benzopyran-3-carboxylic acid, 4a,5,8,8a-tetrahydro-6,7-dimethyl-1-oxo-, methyl ester
Alternate Name(s) 6,7-Dimethyl-3-methoxycarbonyl-4a,5,8,8a-tetrahydrocoumarin Methyl 6,7-dimethyl-1-oxo-4a,5,8,8a-tetrahydro-1H-2-benzopyran-3-carboxylate
CAS Registry Number 68160-94-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-7-4-9-6-11(13(15)16-3)17-12(14)10(9)5-8(7)2/h6,9-10H,4-5H2,1-3H3
InChIKey ZHNZRXVUGFRVQU-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C=1(OC(=O)C2C(C1)CC(=C(C)C2)C)C(=O)OC
SPLASH splash10-05o0-9520000000-2f309eb2aaf5bdad1533
Source of Spectrum F-34-1899-0
Wiley ID 1238037