2-Butenoic acid, 2-methyl-, 2,3,5,7a-tetrahydro-7-(hydroxymethyl)-1H-pyrrolizin-1-yl ester, [1S-[1α(Z),7aα]]-
- Formula: C13H19NO3
- Molecular weight: 237.2949
- IUPAC Standard InChI: InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m1/s1
- IUPAC Standard InChIKey: TYGYPIIOOQNWBU-YKSZOPSQSA-N
- CAS Registry Number: 723-78-4
- 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. - Stereoisomers:
- Other names: Heliotridine, 7-(2-methylcrotonate), (Z)-; Heliotridine, 7-angelate (ester); Rivularine; Heliotridine, 7-angelyl-; 7-Angeloylheliotridine; 7-Angelylheliotridine; 7-(Hydroxymethyl)-(1S,7aR)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2Z)-2-methyl-2-butenoate; Heliotridine, 7-angelate; 7-Angeloylretronecine
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Normal alkane RI, non-polar column, temperature ramp
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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
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | HP-5 MS | HP-5 MS |
| Column length (m) | 30. | 30. |
| Carrier gas | Helium | Helium |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 100. | 100. |
| Tend (C) | 280. | 280. |
| Heat rate (K/min) | 5. | 5. |
| Initial hold (min) | 2. | 2. |
| Final hold (min) | 20. | 20. |
| I | 1818. | 1820. |
| Reference | Christov and Evstatieva, 2003 | Christov and Evstatieva, 2003 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Christov and Evstatieva, 2003
Christov, V.; Evstatieva, L.,
Alkaloid profile of Bulgarian species from genus Senecio L.,
Z. Naturforsch., 2003, 58c, 300-302. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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