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4H-1-Benzopyran-4-one, 3-hydroxy-2-[2-(hydroxymethyl)phenyl]-
SpectraBase Compound ID 6ntGdDYbJR2
InChI InChI=1S/C16H12O4/c17-9-10-5-1-2-6-11(10)16-15(19)14(18)12-7-3-4-8-13(12)20-16/h1-8,17,19H,9H2
InChIKey FSUVYLHYLSMTRU-UHFFFAOYSA-N
Mol Weight 268.27 g/mol
Molecular Formula C16H12O4
Exact Mass 268.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MN1yApQmv9
Name 4H-1-Benzopyran-4-one, 3-hydroxy-2-[2-(hydroxymethyl)phenyl]-
Alternate Name(s) 2'-Hydroxymethyl-flavonol 3-hydroxy-2-[2-(hydroxymethyl)phenyl]-4H-chromen-4-one Flavone, 3-hydroxy-2'-(hydroxymethyl)-
CAS Registry Number 24400-72-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O4
InChI InChI=1S/C16H12O4/c17-9-10-5-1-2-6-11(10)16-15(19)14(18)12-7-3-4-8-13(12)20-16/h1-8,17,19H,9H2
InChIKey FSUVYLHYLSMTRU-UHFFFAOYSA-N
Molecular Weight 268.268 g/mol
SMILES OC1=C(c2c(CO)cccc2)Oc2c(C1=O)cccc2
SPLASH splash10-0gb9-0090000000-caf9056ba595b5a7a4cb
Source of Spectrum AC-1975-2530-0
Wiley ID 1272288