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(Z)-2-ETHYLIDENE-3-HYDROXY-3-METHYL-4-PENTYNOIC ACID, METHYL ESTER
SpectraBase Compound ID 31SJMFaTxzR
InChI InChI=1S/C9H12O3/c1-5-7(8(10)12-4)9(3,11)6-2/h2,5,11H,1,3-4H3/b7-5+
InChIKey DEVHZNVARLHYCY-FNORWQNLSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LX2Dn75MpQ0
Name (Z)-2-ETHYLIDENE-3-HYDROXY-3-METHYL-4-PENTYNOIC ACID, METHYL ESTER
Source of Sample K. B. Becker J. Org. Chem. 42, 2647(1977)
CAS Registry Number 62493-30-5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-5-7(8(10)12-4)9(3,11)6-2/h2,5,11H,1,3-4H3/b7-5+
InChIKey DEVHZNVARLHYCY-FNORWQNLSA-N
Molecular Weight 168.19
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WH-90
Synonyms 4-PENTYNOIC ACID, 2-ETHYLIDENE- 3-HYDROXY-3-METHYL-, METHYL ESTER, /Z/-,