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2-Acetyl-octanoic acid, ethyl ester

View entire compound with spectra: 3 NMR, 3 FTIR, and 3 MS (GC)

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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2FPOGCy5syb
Name 2-ACETYLOCTANOIC ACID, ETHYL ESTER
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Catalog Number H 129
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 214.304993
Synonyms ACETOACETIC ACID, 2-HEXYL-, ETHYL ESTER OCTANOIC ACID, 2-ACETYL-, ETHYL ESTER
Technique CAPILLARY CELL: NEAT