Tropinone
Compound with spectra: 12 NMR, 2 FTIR, and 1 MS (GC)
| SpectraBase Compound ID | 3MZGOuEctJw |
|---|---|
| InChI | InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+ |
| InChIKey | QQXLDOJGLXJCSE-KNVOCYPGSA-N |
| Mol Weight | 139.2 g/mol |
| Molecular Formula | C8H13NO |
| Exact Mass | 139.099714 g/mol |
| Copyright | Copyright © 2019-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Company LLC |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | T89605 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CHCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CHCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CHCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | H2O:D2O=9:1;PH=4_OR_D2O |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CH3CN:CD3CN=2:1 |
| Copyright | Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | T89605 |
| Technique | Melt |
- [(15)-N]-TROPINONE
- 8-Methyl-8-azabicyclo[3.2.1]octan-3-one
N-Methylpelletierine
3-Chloro-8-methyl-8-azabicyclo[3.2.1]octane
8-Methyl-8-azabicyclo[3.2.1]octan-3-amine
(2R,6S)-2-methyl-6-propyl-4-piperidinone
(2S,6R)-2,6-Dipentylpiperidin-4-one
endo-3-Methyl-tropane (N-me axial)
endo-3-Methyl-tropane (N-me equatorial)
(2S,5S)-2-butyl-5-heptyl-1-methylpyrrolidine
Pyrrolidine, 2-bytyl-1-methyl-5-nonyl-
| Title | Journal or Book | Year |
|---|---|---|
| Biosynthesis of calystegines: 15N NMR and kinetics of formation in root cultures of Calystegia sepium | Phytochemistry | 2003 |
| In vivo NMR analysis of tropane alkaloid metabolism in transformed root and de-differentiated cultures of Datura stramonium | Phytochemistry | 1996 |
| Phygrine, an alkaloid from Physalis species | Phytochemistry | 1992 |
| Correlations of stereochemistry and heteroatom configurations with oxygen-17 chemical shifts in substituted 1-hetera-4-cyclohexanones | The Journal of Organic Chemistry | 1989 |
| Carbon-13 nuclear magnetic resonance spectroscopy of naturally occurring substances. Alkaloids | Accounts of Chemical Research | 1974 |
This compound is available in the following databases:
Mass Spectra of Designer Drugs 2024
Author: Peter Rösner
This library enables fast and reliable identification of the latest illegal designer drugs. It is updated annually. Learn more.
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley
The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.
KnowItAll Mass Spectral Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.
| Vendor/Supplier | Catalog Number |
|---|---|
| Sigma-Aldrich Company LLC |