Benzeneacetic acid, α-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-
- Formula: C17H21NO2
- Molecular weight: 271.3541
- IUPAC Standard InChI: InChI=1S/C17H21NO2/c1-12(13-6-4-3-5-7-13)17(19)20-16-10-14-8-9-15(11-16)18(14)2/h3-7,14-16H,1,8-11H2,2H3
- IUPAC Standard InChIKey: WPUIZWXOSDVQJU-UHFFFAOYSA-N
- CAS Registry Number: 500-55-0
- 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: 1-α-H,5-α-H-Tropan-3-α-ol, atropate; Apoatropin; Apoatropine; Atropamin; Atropamine; Atropyltropeine; endo-α-Methylenebenzeneacetic acid 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester; Tropic acid, 3-α-tropanyl ester; Tropine, atropate; Apohyoscyamin; Apohyoscyamine; Benzeneacetic acid, α-methylene-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester; 1-α-5Hα-Tropan-3α-ol, atropate (ester); 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl atropate; Atropine art. (- H2O)
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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, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 2105.3 | 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) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1 | 2028. | Zayed and Wink, 2004 | He, 120. C @ 3. min, 8. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Other | Methyl Silicone | 2050. | Ardrey and Moffat, 1981 | Program: not specified |
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.
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Zayed and Wink, 2004
Zayed, R.; Wink, M.,
Induction of tropane alkaloid formation in transformed root cultures of Brugmansia suaveolens (Solanaceae),
Z. Naturforsch. C:, 2004, 59, 11-12, 863-867. [all data]
Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase,
J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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