| SpectraBase Spectrum ID |
10t01KprCX7 |
| Name |
Quinapril 2et @P1654 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
494.278072327 u |
| Formula |
C29H38N2O5 |
| InChI |
InChI=1S/C29H38N2O5/c1-5-30(25(28(33)35-6-2)18-17-22-13-9-8-10-14-22)21(4)27(32)31-20-24-16-12-11-15-23(24)19-26(31)29(34)36-7-3/h8-16,21,25-26H,5-7,17-20H2,1-4H3 |
| InChIKey |
PGPYOVLRANSUQF-UHFFFAOYSA-N |
| Molecular Weight |
494.632 g/mol |
| SMILES |
C=1C=CC(CCC(N(C(C(N2C(CC3=C(C2)C=CC=C3)C(=O)OCC)=O)C)CC)C(=O)OCC)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876128 |
