| SpectraBase Spectrum ID |
BIbf7a9jxZN |
| Name |
Metoclopramide-m (-(C2H5)2N,cooh) me |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.056384603 u |
| Formula |
C11H13ClN2O4 |
| InChI |
InChI=1S/C11H13ClN2O4/c1-17-9-4-8(13)7(12)3-6(9)11(16)14-5-10(15)18-2/h3-4H,5,13H2,1-2H3,(H,14,16) |
| InChIKey |
HOJPRUQYSXSUHN-UHFFFAOYSA-N |
| SMILES |
C=1(C(=CC(=C(C1)Cl)N)OC)C(NCC(OC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849028 |
