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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 GnIKIJ1s59f
Name Coumarin
CAS Registry Number 91-64-5
Comments J(C,H) REPORTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Bruker HX-90
Literature Reference H. Guenther, J. Prestien, Org. Magn. Resonance 7, 339 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3