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2H-1-Benzopyran-2-one, 5,7-dihydroxy-4-(1-hydroxypropyl)-8-(1-oxobutyl)-
SpectraBase Compound ID Cd7fMoMOy6d
InChI InChI=1S/C16H18O6/c1-3-5-10(18)15-12(20)7-11(19)14-8(9(17)4-2)6-13(21)22-16(14)15/h6-7,9,17,19-20H,3-5H2,1-2H3
InChIKey OKJPGIIPDCFJTO-UHFFFAOYSA-N
Mol Weight 306.31 g/mol
Molecular Formula C16H18O6
Exact Mass 306.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8NvvkzeMZM
Name 2H-1-Benzopyran-2-one, 5,7-dihydroxy-4-(1-hydroxypropyl)-8-(1-oxobutyl)-
CAS Registry Number 111249-85-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O6
InChI InChI=1S/C16H18O6/c1-3-5-10(18)15-12(20)7-11(19)14-8(9(17)4-2)6-13(21)22-16(14)15/h6-7,9,17,19-20H,3-5H2,1-2H3
InChIKey OKJPGIIPDCFJTO-UHFFFAOYSA-N
Molecular Weight 306.314 g/mol
SMILES Oc1cc(c(c2c1C(C(O)CC)=CC(O2)=O)C(=O)CCC)O
SPLASH splash10-08ft-0092000000-ff45a9fd01f584e858c6
Source of Spectrum KC-1987-342-12
Synonyms 8-Butyryl-5,7-dihydroxy-4-(1-hydroxypropyl)-2H-chromen-2-one 8-Butyryl-5,7-dihydroxy-4-(1-hydroxypropyl)coumarin
Wiley ID 1307931