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2H-1-Benzopyran-2-one, 4-(chloromethyl)-5,7-dihydroxy-8-(1-oxobutyl)-
SpectraBase Compound ID 2pKvCAOn8Ya
InChI InChI=1S/C14H13ClO5/c1-2-3-8(16)13-10(18)5-9(17)12-7(6-15)4-11(19)20-14(12)13/h4-5,17-18H,2-3,6H2,1H3
InChIKey SXLHNTRRWHQXLB-UHFFFAOYSA-N
Mol Weight 296.71 g/mol
Molecular Formula C14H13ClO5
Exact Mass 296.045151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2g51eNYVeI
Name 2H-1-Benzopyran-2-one, 4-(chloromethyl)-5,7-dihydroxy-8-(1-oxobutyl)-
CAS Registry Number 111249-71-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13ClO5
InChI InChI=1S/C14H13ClO5/c1-2-3-8(16)13-10(18)5-9(17)12-7(6-15)4-11(19)20-14(12)13/h4-5,17-18H,2-3,6H2,1H3
InChIKey SXLHNTRRWHQXLB-UHFFFAOYSA-N
Molecular Weight 296.706 g/mol
SMILES Oc1c2c(c(c(c1)O)C(=O)CCC)OC(C=C2CCl)=O
SPLASH splash10-014i-0090000000-cb9056480cb3016da8c3
Source of Spectrum KC-1987-339-0
Synonyms 8-Butyryl-4-(chloromethyl)-5,7-dihydroxy-2H-chromen-2-one 8-Butyryl-4-chloromethyl-5,7-dihydroxycoumarin
Wiley ID 1298747