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Khellin

View entire compound with spectra: 14 NMR, 6 FTIR, and 3 MS (GC)

Khellin
SpectraBase Compound ID GGHbvlVLbwD
InChI InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3
InChIKey HSMPDPBYAYSOBC-UHFFFAOYSA-N
Mol Weight 260.24 g/mol
Molecular Formula C14H12O5
Exact Mass 260.068473 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2lcPMDGsjYs
Name Khellin
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 286419
CAS Registry Number 82-02-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O5
InChI InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3
InChIKey HSMPDPBYAYSOBC-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4,9-Dimethoxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one
Wiley ID SIAL_1HNMR_005360