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trans-3-hydroxy-2-oxo-4-hexenoic acid, methyl ester, 2-(dimethyl acetal)
SpectraBase Compound ID IBAdLIlUyC1
InChI InChI=1S/C9H16O5/c1-5-6-7(10)9(13-3,14-4)8(11)12-2/h5-7,10H,1-4H3/b6-5+
InChIKey DFAQLVSXRCFSHQ-AATRIKPKSA-N
Mol Weight 204.22 g/mol
Molecular Formula C9H16O5
Exact Mass 204.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9L7oISmGbk0
Name trans-3-HYDROXY-2-OXO-4-HEXENOIC ACID, METHYL ESTER, 2-(DIMETHYL ACETAL)
Source of Sample R. W. Aben, Catholic University, Nijmegen, the Netherlands
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O5
InChI InChI=1S/C9H16O5/c1-5-6-7(10)9(13-3,14-4)8(11)12-2/h5-7,10H,1-4H3/b6-5+
InChIKey DFAQLVSXRCFSHQ-AATRIKPKSA-N
Molecular Weight 204.22
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 4-HEXENOIC ACID, 3-HYDROXY-2-OXO-, METHYL ESTER, 2-/DIMETHYL ACETAL/, trans-, 4-HEXENOIC ACID, 2,2-DIMETHOXY- 3-HYDROXY-, METHYL ESTER, trans-,