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7-Hydroxy-warfarin
SpectraBase Compound ID 8MTHSQubPro
InChI InChI=1S/C19H16O5/c1-11(20)9-15(12-5-3-2-4-6-12)17-18(22)14-8-7-13(21)10-16(14)24-19(17)23/h2-8,10,15,21-22H,9H2,1H3
InChIKey SKFYEJMLNMTTJA-UHFFFAOYSA-N
Mol Weight 324.33 g/mol
Molecular Formula C19H16O5
Exact Mass 324.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGeK0LihFyg
Name 2H-1-Benzopyran-2-one, 4,7-dihydroxy-3-(3-oxo-1-phenylbutyl)-
Alternate Name(s) 4,7-Dihydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one 4,7-Dihydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one 7-Hydroxywarfarin 4,7-Dihydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one 4,7-Dihydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one 4,7-Dihydroxy-3-(3-oxo-1-phenyl-butyl)chromen-2-one 4,7-bis(oxidanyl)-3-(3-oxidanylidene-1-phenyl-butyl)chromen-2-one
CAS Registry Number 17834-03-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16O5
InChI InChI=1S/C19H16O5/c1-11(20)9-15(12-5-3-2-4-6-12)17-18(22)14-8-7-13(21)10-16(14)24-19(17)23/h2-8,10,15,21-22H,9H2,1H3
InChIKey SKFYEJMLNMTTJA-UHFFFAOYSA-N
Molecular Weight 324.332 g/mol
SMILES Oc1cc2OC(C(=C(c2cc1)O)C(CC(=O)C)c1ccccc1)=O
SPLASH splash10-001i-7940000000-8a11e208304b112c165f
Source of Spectrum AF-13-1202-5
Wiley ID 1323267