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Coumarin, 3-acetoacetyl-
SpectraBase Compound ID 9B60szAHnTU
InChI InChI=1S/C13H10O4/c1-8(14)6-11(15)10-7-9-4-2-3-5-12(9)17-13(10)16/h2-5,7H,6H2,1H3
InChIKey AZAIGYUDADTJHD-UHFFFAOYSA-N
Mol Weight 230.22 g/mol
Molecular Formula C13H10O4
Exact Mass 230.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6b0chfL4KIa
Name Coumarin, 3-acetoacetyl-
CAS Registry Number 13252-79-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10O4
InChI InChI=1S/C13H10O4/c1-8(14)6-11(15)10-7-9-4-2-3-5-12(9)17-13(10)16/h2-5,7H,6H2,1H3
InChIKey AZAIGYUDADTJHD-UHFFFAOYSA-N
Molecular Weight 230.219 g/mol
SMILES CC(CC(C1=Cc2ccccc2OC1=O)=O)=O
SPLASH splash10-0019-0960000000-1bb1062a7e33bd4ea7bd
Source of Spectrum KC-66-1712-2
Synonyms 1-(2-Oxo-2H-chromen-3-yl)-1,3-butanedione 1-(2-ketochromen-3-yl)butane-1,3-dione 1-(2-oxidanylidenechromen-3-yl)butane-1,3-dione 1-(2-oxo-1-benzopyran-3-yl)butane-1,3-dione 1-(2-oxochromen-3-yl)butane-1,3-dione
Wiley ID 1231758