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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 3NwgzZrClWC
Name 4-OXO-2-HEPTYNOIC ACID, ETHYL ESTER
Source of Sample L. V. Yerino, M. E. Osborn, P. S. Mariano Tetrahedron 38, 1579 (1982)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Molecular Weight 168.19
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian XL-100
Synonyms 2-HEPTYNOIC ACID, 4-OXO-, ETHYL ESTER