Tridecanoic acid, 12-methyl-, methyl ester
- Formula: C15H30O2
- Molecular weight: 242.3975
- IUPAC Standard InChI: InChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17-3/h14H,4-13H2,1-3H3
- IUPAC Standard InChIKey: FLESKWMKPOBWDE-UHFFFAOYSA-N
- CAS Registry Number: 5129-58-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Methyl isomyristate; Methyl 12-methyltridecanoate; Methyl isotetradecanoate; Methyl isotetradecanoate (iso-14:0)
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center |
| NIST MS number | 352207 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | SE-30 | 200. | 1678. | Golovnya and Kuzmenko, 1977 | He, Chromosorb W (80-100 mesh); Column length: 1.5 m |
| Packed | SE-30 | 200. | 1678. | Golovnya, Uralets, et al., 1976 | Gas Chrom Q (80-100 mesh); Column length: 1.5 m |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1682.7 | Tret'yakov, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX-5 | 1689. | Dickschat, Bode, et al., 2005 | 25. m/0.22 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 300. C |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Golovnya and Kuzmenko, 1977
Golovnya, R.V.; Kuzmenko, T.E.,
Thermodynamic evaluation of the interaction of fatty acid methyl esters with polar and non-polar stationary phases, based on their retention indices,
Chromatographia, 1977, 10, 9, 545-548, https://doi.org/10.1007/BF02262915
. [all data]
Golovnya, Uralets, et al., 1976
Golovnya, R.V.; Uralets, V.P.; Kuzmenko, T.E.,
Characterization of fatty acid methyl esters by gas chromatography on siloxane liquid phases,
J. Chromatogr., 1976, 121, 1, 118-121, https://doi.org/10.1016/S0021-9673(00)82312-2
. [all data]
Tret'yakov, 2008
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]
Dickschat, Bode, et al., 2005
Dickschat, J.S.; Bode, H.B.; Kroppenstedt, R.M.; Müller, R.; Schulz, S.,
Biosynthesis of iso-fatty acids in myxobacteria,
Org. Biomol. Chem., 2005, 3, 15, 2824-2831, https://doi.org/10.1039/b504889c
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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