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6,7-Dihydroxy-2H-chromen-2-one
SpectraBase Compound ID 8hV1Mz4uzCk
InChI InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
InChIKey ILEDWLMCKZNDJK-UHFFFAOYSA-N
Mol Weight 178.14 g/mol
Molecular Formula C9H6O4
Exact Mass 178.026609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkB0l3mIxzi
Name 6,7-Dihydroxy-2H-chromen-2-one
Alternate Name(s) 2H-1-Benzopyran-2-one, 6,7-dihydroxy- 6,7-bis(oxidanyl)chromen-2-one 6,7-dihydroxy-1-benzopyran-2-one 6,7-Dihydroxy-2-benzopyrone 6,7-Dihydroxy-2H-1-benzopyran-2-one 6,7-dihydroxychromen-2-one 6,7-Dihydroxycoumarin Aesculetin Asculetine Cichorigenin Cichoriin aglucon Cichoriin aglycon Coumarin, 6,7-dihydroxy- Esculatin Esculetin Esculetol Esculin aglucon Esculin aglycon BRN 0152788 CCRIS 7065 EINECS 206-161-5 NSC 26428
CAS Registry Number 305-01-1
Comments Less than 3 mono-isotopic peaks
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Formula C9H6O4
InChI InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
InChIKey ILEDWLMCKZNDJK-UHFFFAOYSA-N
Molecular Weight 178.143 g/mol
SMILES Oc1cc2c(cc1O)C=CC(O2)=O
SPLASH splash10-0ufr-0900000000-59d302d0397dc650f24e
Source of Spectrum C9-0-24-4
Wiley ID 1173807