| SpectraBase Spectrum ID |
JHkO6XWNmls |
| Name |
Tolperisone |
| CAS Registry Number |
3644-61-9 |
| Classification |
Myotonolytikum |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
245.177964364 u |
| Formula |
C16H23NO |
| InChI |
InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3 |
| InChIKey |
FSKFPVLPFLJRQB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
245.366 g/mol |
| Nominal Mass |
245 u |
| Quality |
982 |
| Retention Index |
1880 |
| SMILES |
C=1(C(C(CN2CCCCC2)C)=O)C=CC(=CC1)C |
| SPLASH |
splash10-0002-9000000000-bd94b1da34a43dd09f4d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Tolperison
2-Methyl-1-(4-methylphenyl)-3-(1-piperidyl)propan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015939 |
