| SpectraBase Spectrum ID |
5XxVuenVE0m |
| Name |
Ambroxol-A (-H2O) |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
357.968024523 u |
| Formula |
C13H16Br2N2 |
| InChI |
InChI=1S/C13H16Br2N2/c14-10-6-9(13(16)12(15)7-10)8-17-11-4-2-1-3-5-11/h1-2,6-7,11,17H,3-5,8,16H2/t11-/m1/s1 |
| InChIKey |
LLHPHBQIMDWCGC-LLVKDONJSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
360.093 g/mol |
| Nominal Mass |
358 u |
| Quality |
862 |
| Retention Index |
2457 |
| SMILES |
NC1=C(CN[C@]2(CCC=CC2)[H])C=C(C=C1Br)Br |
| SPLASH |
splash10-03xr-7594000000-36e956c9345c56792414 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2,4-dibromo-6-((cyclohex-3-en-1-ylamino)methyl)aniline |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009337 |
