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4-OXO-2-HEPTYNOIC ACID, ETHYL ESTER
SpectraBase Compound ID AAA9ekHzWyl
InChI InChI=1S/C9H12O3/c1-3-5-8(10)6-7-9(11)12-4-2/h3-5H2,1-2H3
InChIKey DFJHYEZGVGHMPQ-UHFFFAOYSA-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 5OAAuNpjEL1
Name Ethyl 3-oxo-1-hexyne-1-carboxylate
CAS Registry Number 83253-44-5
Comments XL-100 OR PS-100
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-3-5-8(10)6-7-9(11)12-4-2/h3-5H2,1-2H3
InChIKey DFJHYEZGVGHMPQ-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference L.V. Yerino, M.E. Osborn, P.S. Mariano, Tetrahedron 38, 1579 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3