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HHWWWZQYHPFCBY-UHFFFAOYSA-N

View entire compound with spectra: 6 NMR, 3 FTIR, and 5 MS (GC)

HHWWWZQYHPFCBY-UHFFFAOYSA-N
SpectraBase Compound ID CXYHwZUkE40
InChI InChI=1S/C7H6O4/c1-10-7(9)5-2-3-6(8)11-4-5/h2-4H,1H3
InChIKey HHWWWZQYHPFCBY-UHFFFAOYSA-N
Mol Weight 154.12 g/mol
Molecular Formula C7H6O4
Exact Mass 154.026609 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6n9miak7eZj
Name Methyl coumalate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 261432
CAS Registry Number 6018-41-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6O4
InChI InChI=1S/C7H6O4/c1-10-7(9)5-2-3-6(8)11-4-5/h2-4H,1H3
InChIKey HHWWWZQYHPFCBY-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Methyl 2-oxo-2H-pyran-5-carboxylate; Methyl 2-pyrone-5-carboxylate
Wiley ID SIAL_13CNMR_004670