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2H-1-Benzopyran-2-one, 4,8-dihydroxy-3-(3-oxo-1-phenylbutyl)-
SpectraBase Compound ID DN8mEtFTXRf
InChI InChI=1S/C19H16O5/c1-11(20)10-14(12-6-3-2-4-7-12)16-17(22)13-8-5-9-15(21)18(13)24-19(16)23/h2-9,14,21-22H,10H2,1H3
InChIKey BHBOXPNWDGYJNB-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 Dw23nJ3fvEm
Name 2H-1-Benzopyran-2-one, 4,8-dihydroxy-3-(3-oxo-1-phenylbutyl)-
Alternate Name(s) 8-Hydroxywarfarin 4,8-Dihydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one 4,8-Dihydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one 4,8-Dihydroxy-3-(3-oxo-1-phenyl-butyl)chromen-2-one 4,8-bis(oxidanyl)-3-(3-oxidanylidene-1-phenyl-butyl)chromen-2-one
CAS Registry Number 17834-04-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16O5
InChI InChI=1S/C19H16O5/c1-11(20)10-14(12-6-3-2-4-7-12)16-17(22)13-8-5-9-15(21)18(13)24-19(16)23/h2-9,14,21-22H,10H2,1H3
InChIKey BHBOXPNWDGYJNB-UHFFFAOYSA-N
Molecular Weight 324.332 g/mol
SMILES Oc1c2OC(C(=C(c2ccc1)O)C(CC(=O)C)c1ccccc1)=O
SPLASH splash10-001i-4981000000-0bc237328b04189099d7
Source of Spectrum AF-13-1202-6
Wiley ID 1323268