| SpectraBase Spectrum ID |
JFfXvepdMSe |
| Name |
Metoclopramide TFA |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
395.122353734 u |
| Formula |
C16H21ClF3N3O3 |
| InChI |
InChI=1S/C16H21ClF3N3O3/c1-4-23(5-2)7-6-21-14(24)10-8-11(17)12(9-13(10)26-3)22-15(25)16(18,19)20/h8-9H,4-7H2,1-3H3,(H,21,24)(H,22,25) |
| InChIKey |
FEGGYKJSIAKVNF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
395.810 g/mol |
| Nominal Mass |
395 u |
| Quality |
969 |
| Retention Index |
2325 |
| SMILES |
C1(NC(C(F)(F)F)=O)=C(C=C(C(=C1)OC)C(NCCN(CC)CC)=O)Cl |
| SPLASH |
splash10-000i-9000000000-eb9b84c67e205540049c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzamide,4-trifluoroacetylamino-5-chloro-N-(2-diethylaminoethyl)-2-methoxy-
4-Trifluoroacetylamino-5-chloro-N-(2-diethylaminoethyl)-2-methoxy-benzamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009312 |
