| SpectraBase Spectrum ID |
6AzLQ4VJbQo |
| Name |
Moexipril-m/artifact 3me @P1671 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
512.252251500 u |
| Formula |
C28H36N2O7 |
| InChI |
InChI=1S/C28H36N2O7/c1-18(29(2)22(27(32)36-5)13-12-19-10-8-7-9-11-19)26(31)30-15-14-20-16-23(34-3)24(35-4)17-21(20)25(30)28(33)37-6/h7-11,16-18,22,25H,12-15H2,1-6H3 |
| InChIKey |
KPKSAYTZXASYBW-UHFFFAOYSA-N |
| Molecular Weight |
512.603 g/mol |
| SMILES |
C1=CC=C(CCC(N(C(C(N2C(C3=C(C=C(C(=C3)OC)OC)CC2)C(=O)OC)=O)C)C)C(=O)OC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81377 |
