Ambroxol
Compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)
| SpectraBase Compound ID | 9JEOPUBbhBq |
|---|---|
| InChI | InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11- |
| InChIKey | JBDGDEWWOUBZPM-XYPYZODXSA-N |
| Mol Weight | 378.11 g/mol |
| Molecular Formula | C13H18Br2N2O |
| Exact Mass | 375.978589 g/mol |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Spectrum Chemical Manufacturing Corp. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | Free base of A3028 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
- trans-4-[(2-Amino-3,5-dibromobenzyl)amino]-cyclohexanol
- Ambroxolo
2-Amino-3,5-dibromobenzohydrazide
Methyl 2-amino-3,5-dibromobenzoate
2,6-Dibromo-4-(4-morpholinylcarbothioyl)phenol
N-[(1S)-1-Hydroxymethyl-2-methylpropyl]-2-aminobenzamide
N-benzyl-1,4-dioxaspiro[4.7]dodecan-8-amine
Clencyclohexerol
1-(3-Bromobenzyl)-N-(3-fluorophenyl)piperidin-4-amine
o-amino-N-(tetrahydro-3-thienyl)benzamide
2-bromo-4,6-di-tert-butylaniline
| Title | Journal or Book | Year |
|---|---|---|
| Synthesis of chiral and achiral analogues of ambroxol via palladium-catalysed reactions | Journal of the Chemical Society, Perkin Transactions 1 | 1997 |
This compound is available in the following databases:
Wiley Registry of Tandem Mass Spectral Data: MS for ID
Author: Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
The Wiley Registry® of Tandem Mass Spectral Data: MS for ID contains 10,000 positive and negative mode spectra of over 1200 compounds of interest for forensics, toxicology, and pathology. Learn more.
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.
Maurer, Meyer, Pfleger, Weber: GC-MS Library of Drugs, Poisons, and Their Metabolites 6th Edition
Author: Hans H. Maurer, Markus Meyer, Karl Pfleger, Armin A. Weber
Identification of trace drugs, poisons, and pollutants requires broad coverage of specific compound classes: metabolites, acetylated, methylated, trimethylsilylated, trifluoroacetylated, pentafluoropropionylated, and heptafluorobutyrylated compounds. Learn more.
Wiley Registry of Mass Spectral Data 2023
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.