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2-Acetyl-octanoic acid, ethyl ester

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2-Acetyl-octanoic acid, ethyl ester
SpectraBase Compound ID LcADrPKwXpd
InChI InChI=1S/C12H22O3/c1-4-6-7-8-9-11(10(3)13)12(14)15-5-2/h11H,4-9H2,1-3H3
InChIKey BRGRZPQESQKATK-UHFFFAOYSA-N
Mol Weight 214.3 g/mol
Molecular Formula C12H22O3
Exact Mass 214.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8qYKE3kmfg8
Name 2-ACETYLOCTANOIC ACID, ETHYL ESTER
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O3
InChI InChI=1S/C12H22O3/c1-4-6-7-8-9-11(10(3)13)12(14)15-5-2/h11H,4-9H2,1-3H3
InChIKey BRGRZPQESQKATK-UHFFFAOYSA-N
Molecular Weight 214.31
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms OCTANOIC ACID, 2-ACETYL-, ETHYL ESTER ACETOACETIC ACID, 2-HEXYL-, ETHYL ESTER