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Cumarin

View entire compound with spectra: 129 NMR, 14 FTIR, 3 Raman, 1 UV-Vis, and 37 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BCg4TnUVyyu
Name COUMARIN
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Boiling Point 298C
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Melting Point 68.8C
Molecular Weight 146.15
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms CINNAMIC ACID, O-HYDROXY-, D-LACTONE BENZOPYRAN-2-ONE, 2H-1-,