3-Methyl-2-butenyl (E)-caffeate, bis-TMS
- Formula: C20H32O4Si2
- Molecular weight: 392.6367
- IUPAC Standard InChI: InChI=1S/C20H32O4Si2/c1-16(2)13-14-22-20(21)12-10-17-9-11-18(23-25(3,4)5)19(15-17)24-26(6,7)8/h9-13,15H,14H2,1-8H3/b12-10+
- IUPAC Standard InChIKey: VXQJJTOLIGXTFH-ZRDIBKRKSA-N
- 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: 3-Methyl-2-butenyl (E)-caffeate, TMS; 3-Methyl-2-butenyl caffeate, TMS
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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 | 2422. | Isidorov and Vinogorova, 2003 | He, 5. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C |
| Capillary | Methyl Silicone | 2396. | Greenaway and Whatley, 1991 | 25. m/0.32 mm/0.50 μm, He, 3. K/min; Tstart: 75. C; Tend: 310. C |
| Capillary | Methyl Silicone | 2402. | Greenaway and Whatley, 1990 | 25. m/0.32 mm/0.5 μm, He, 3. K/min; Tstart: 75. C; Tend: 300. 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]
Greenaway and Whatley, 1991
Greenaway, W.; Whatley, F.R.,
Synthesis of esters of acetyloxycaffeic acids and their occurrence in poplar bud exudates,
J. Chromatogr., 1991, 543, 113-121, https://doi.org/10.1016/S0021-9673(01)95759-0
. [all data]
Greenaway and Whatley, 1990
Greenaway, W.; Whatley, F.R.,
Resolution of complex mixtures of phenolics in poplar bud exudate by analysis of gas chromatography-mass spectrometry data,
J. Chromatogr., 1990, 519, 1, 145-158, https://doi.org/10.1016/0021-9673(90)85143-J
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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