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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 DdRWjn03d3a
Name Methyl (Z)-2-ethylidene-3-hydroxy-3-methyl-4-pentynoate
CAS Registry Number 62493-30-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Bruker WH-90
Literature Reference K.B. Becker, J. Org. Chem. 42, 2647 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3