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Angelic acid

View entire compound with spectra: 9 NMR, 1 FTIR, and 1 MS (GC)

Angelic acid
SpectraBase Compound ID 6YCHQZ9VkZY
InChI InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-
InChIKey UIERETOOQGIECD-ARJAWSKDSA-N
Mol Weight 100.12 g/mol
Molecular Formula C5H8O2
Exact Mass 100.052429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DHapiCigJjT
Name 2-Methyl-(Z)-2-butenoic acid
CAS Registry Number 565-63-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H8O2
InChI InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-
InChIKey UIERETOOQGIECD-ARJAWSKDSA-N
Instrument Name Bruker WH-400
Literature Reference P. Joseph-Nathan, H. Guenther, Org. Magn. Resonance 22, 190 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3