| SpectraBase Spectrum ID |
60dvIgBsGJk |
| Name |
Enalapril-m/artifact 2et @P1127 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.209658414 u |
| Formula |
C19H29NO4 |
| InChI |
InChI=1S/C19H29NO4/c1-5-20(15(4)18(21)23-6-2)17(19(22)24-7-3)14-13-16-11-9-8-10-12-16/h8-12,15,17H,5-7,13-14H2,1-4H3 |
| InChIKey |
JPQNOYPFZHPGSR-UHFFFAOYSA-N |
| Molecular Weight |
335.444 g/mol |
| SMILES |
C=1C=CC(CCC(N(C(C(=O)OCC)C)CC)C(=O)OCC)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840567 |
