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4-hydroxy-2H-chromen-2-one
SpectraBase Compound ID 6YufkkQCdgS
InChI InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
InChIKey VXIXUWQIVKSKSA-UHFFFAOYSA-N
Mol Weight 162.14 g/mol
Molecular Formula C9H6O3
Exact Mass 162.031694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6UsfwRyUccl
Name 4-Hydroxycoumarin
CAS Registry Number 1076-38-6
Classification Pharmaceutical drug, antibacterial
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 162.031694050 u
Formula C9H6O3
InChI InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
InChIKey VXIXUWQIVKSKSA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 162.144 g/mol
Nominal Mass 162 u
Quality 997
Retention Index 1784
SMILES OC=1C=2C(OC(C1)=O)=CC=CC2
SPLASH splash10-022c-8900000000-d0507a6c073c409358fb
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Brodifacoum-A 4-Hydroxy-2H-1-benzopyran-2-one
Technique GC/MS
Wiley ID DD2024_010643