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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 1zfNT2NQG9f
Name Coumarin
Source of Sample Aldrich
Catalog Number C85557
CAS Registry Number 91-64-5
Classification Aromatic esters and lactones
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 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
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1,2-Benzopyrone 1-Benzopyran-2-one 2H-Chromen-2-one
Technique Mull
Wiley ID SIAL_FTIR_1_9291