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1H-2-Benzopyran-5-carboxylic acid, 8-hydroxy-3,6-dimethyl-1-oxo-, 1-methylethyl ester
SpectraBase Compound ID DGYY8k8oJMH
InChI InChI=1S/C15H16O5/c1-7(2)19-14(17)12-8(3)5-11(16)13-10(12)6-9(4)20-15(13)18/h5-7,16H,1-4H3
InChIKey SQZJZQZTSCYBDH-UHFFFAOYSA-N
Mol Weight 276.29 g/mol
Molecular Formula C15H16O5
Exact Mass 276.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JzmY7UVoet
Name 1H-2-Benzopyran-5-carboxylic acid, 8-hydroxy-3,6-dimethyl-1-oxo-, 1-methylethyl ester
Alternate Name(s) isopropyl 8-hydroxy-3,6-dimethyl-1-oxo-1H-2-benzopyran-5-carboxylate Isopropyl 8-hydroxy-3,6-dimethyl-1-oxo-1H-benzo[c]pyran-5-carboxylate
CAS Registry Number 111301-55-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O5
InChI InChI=1S/C15H16O5/c1-7(2)19-14(17)12-8(3)5-11(16)13-10(12)6-9(4)20-15(13)18/h5-7,16H,1-4H3
InChIKey SQZJZQZTSCYBDH-UHFFFAOYSA-N
Molecular Weight 276.288 g/mol
SMILES Oc1c2C(OC(=Cc2c(C(OC(C)C)=O)c(c1)C)C)=O
SPLASH splash10-000l-8970000000-fdb5db496739b703f65c
Source of Spectrum F-43-2387-10
Wiley ID 1279991