3-Hydroxy-6-acetoxytropane
- Formula: C10H17NO3
- Molecular weight: 199.2469
- IUPAC Standard InChI: InChI=1S/C10H17NO3/c1-6(12)14-10-4-7-3-8(13)5-9(10)11(7)2/h7-10,13H,3-5H2,1-2H3
- IUPAC Standard InChIKey: AEVQETQLKSVJET-UHFFFAOYSA-N
- CAS Registry Number: 112546-76-6
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-6-yl acetate; 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-, 6-acetate; 6-Acetoxytropan-3-ol
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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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1500. | Jenett-Siems, Weigl, et al., 2005 | He, 6. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tstart: 70. C; Tend: 300. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1561.3 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Jenett-Siems, Weigl, et al., 2005
Jenett-Siems, K.; Weigl, R.; Böhm, A.; Mann, P.; Tofern-Reblin, B.; Ott, S.C.; Ghomian, A.; Kaloga, M.; Siems, K.; Witte, L.; Hilker, M.; Müller, F.; Eich, E.,
Chemotaxonomy of the pantropical genus Merremia (Convolvulaceae) based on the distribution of tropane alkaloids,
Phytochemistry, 2005, 66, 12, 1448-1464, https://doi.org/10.1016/j.phytochem.2005.04.027
. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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