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Cumarin
SpectraBase Compound ID 2V3RRqFc4oX
InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKey ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
Mol Weight 146.14 g/mol
Molecular Formula C9H6O2
Exact Mass 146.036779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GY8brBfo5po
Name Coumarin
CAS Registry Number 91-64-5
Classification Pharmaceutical drug precursor
Comments Spectrum verified by crosschecking against external libraries (five reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 146.036779431 u
Formula C9H6O2
InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKey ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 146.145 g/mol
Nominal Mass 146 u
Quality 968
Retention Index 1415
SMILES C=12C(C=CC(O2)=O)=CC=CC1
SPLASH splash10-014j-9800000000-c1e36d030c1d3108e035
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Chromen-2-one
Technique GC/MS
Wiley ID DD2024_007521