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α-Angelicalactone

View entire compound with spectra: 8 NMR, 8 FTIR, 1 Raman, and 19 MS (GC)

α-Angelicalactone
SpectraBase Compound ID ARXklPNnHHM
InChI InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3
InChIKey QOTQFLOTGBBMEX-UHFFFAOYSA-N
Mol Weight 98.1 g/mol
Molecular Formula C5H6O2
Exact Mass 98.036779 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GwEPH0E8UjN
Name alpha-Angelica lactone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number A86406
CAS Registry Number 591-12-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H6O2
InChI InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3
InChIKey QOTQFLOTGBBMEX-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha-Angelica lactone; 4-Hydroxy-3-pentenoic acid gamma-lactone; 5-Methyl-2(3H)-furanone
Wiley ID SIAL_1HNMR_010684