Hexanoic acid, 3-oxo-, methyl ester

Formula: C₇H₁₂O₃
Molecular weight: 144.1684
IUPAC Standard InChI: InChI=1S/C7H12O3/c1-3-4-6(8)5-7(9)10-2/h3-5H2,1-2H3
IUPAC Standard InChIKey: SJPCQNABHNCLPB-UHFFFAOYSA-N
CAS Registry Number: 30414-54-1
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Methyl 3-oxohexanoate
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Active phase	I	Reference	Comment
Capillary	TC-Wax	1561.	Suhardi, Suzuki, et al., 2002	60. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min, 230. C @ 10. min

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Suhardi, Suzuki, et al., 2002
Suhardi, S.; Suzuki, M.; Yoshida, K.; Muto, T.; Fujita, A.; Watanbe, N., Changes in the volatile compounds and in the chemical and physical properties of snake fruit (Salacca edulis Reinw) Cv. Pondoh during maturation, J. Agric. Food Chem., 2002, 50, 26, 7627-7633, https://doi.org/10.1021/jf020620e . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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