2-Propenoic acid, 3-(4-methoxyphenyl)-, methyl ester
- Formula: C11H12O3
- Molecular weight: 192.2112
- IUPAC Standard InChI: InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5+
- IUPAC Standard InChIKey: VEZIKIAGFYZTCI-VMPITWQZSA-N
- CAS Registry Number: 832-01-9
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: Cinnamic acid, p-methoxy-, methyl ester; Methyl p-methoxycinnamate; Methyl 4-methoxycinnamate; Cinnamate, methyl p-methoxy-; 4-Methoxycinnamic acid, methyl ester; Methyl 3-(4-methoxyphenyl)-2-propenoate; Methyl (2E)-3-(4-methoxyphenyl)-2-propenoate; 4-Methoxymethyl cinnamate
- Information on this page:
- Other data available:
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Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | PE-5 | 1668. | Isidorov and Vinogorova, 2003 | He, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 40. C; Tend: 280. C |
| Capillary | PE-5 | 1665. | Isidorov and Vinogorova, 2003 | He, 5. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1694.6 | 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 | HP-5 MS | 1692. | Vedernikov and Roschin, 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 280. C @ 10. min; Tstart: 150. C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Isidorov and Vinogorova, 2003
Isidorov, V.A.; Vinogorova, V.T.,
GC-MS analysis of compounds extracted from buds of Populus balsamifera and Populus nigra,
Z. Naturforsch. C:, 2003, 58, 355-360. [all data]
Tret'yakov, 2008
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]
Vedernikov and Roschin, 2010
Vedernikov, D.N.; Roschin, V.I.,
Extractive compounds of Birch Buds (Betula pendula Roth.): I. Composition of fatty acids, hydrocarbons , and esters,
Rus. J. Bioorg. Chem., 2010, 36, 7, 894-898, https://doi.org/10.1134/S1068162010070174
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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