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2H-1-Benzopyran-4-carboxylic acid, 5,6,7,8-tetrahydro-7,7-dimethyl-2,5-dioxo-, methyl ester
SpectraBase Compound ID 3vfcX0uuugp
InChI InChI=1S/C13H14O5/c1-13(2)5-8(14)11-7(12(16)17-3)4-10(15)18-9(11)6-13/h4H,5-6H2,1-3H3
InChIKey QFFJEFJVVIKQRY-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICU2WhnNfJK
Name 2H-1-Benzopyran-4-carboxylic acid, 5,6,7,8-tetrahydro-7,7-dimethyl-2,5-dioxo-, methyl ester
CAS Registry Number 118096-70-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-13(2)5-8(14)11-7(12(16)17-3)4-10(15)18-9(11)6-13/h4H,5-6H2,1-3H3
InChIKey QFFJEFJVVIKQRY-UHFFFAOYSA-N
Molecular Weight 250.250 g/mol
SMILES C1=2C(=CC(OC2CC(CC1=O)(C)C)=O)C(=O)OC
SPLASH splash10-0006-0930000000-dd161a4e7725b1cdc729
Source of Spectrum B-41-334-7
Synonyms Methyl 7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-(2H)-1-benzopyran-4-carboxylate Methyl 7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromene-4-carboxylate 7,7-Dimethyl-2,5-dioxo-6,8-dihydro-1-benzopyran-4-carboxylic acid methyl ester Methyl 7,7-dimethyl-2,5-dioxo-6,8-dihydrochromene-4-carboxylate Methyl 7,7-dimethyl-2,5-bis(oxidanylidene)-6,8-dihydrochromene-4-carboxylate
Wiley ID 1253081