| SpectraBase Spectrum ID |
25cphFfGBf5 |
| Name |
1(2H)-Pyrazinecarboxylic acid, 4-[2-chloro-6-[(3,4-dimethoxybenzoyl)amino]phenyl]tetrahydro-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.156098644 u |
| Formula |
C22H26ClN3O5 |
| InChI |
InChI=1S/C22H26ClN3O5/c1-4-31-22(28)26-12-10-25(11-13-26)20-16(23)6-5-7-17(20)24-21(27)15-8-9-18(29-2)19(14-15)30-3/h5-9,14H,4,10-13H2,1-3H3,(H,24,27) |
| InChIKey |
RSMINQDLGNMKJM-UHFFFAOYSA-N |
| Molecular Weight |
447.919 g/mol |
| SMILES |
C=1C=CC(NC(C2=CC=C(OC)C(OC)=C2)=O)=C(C1Cl)N1CCN(CC1)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857086 |
![1(2H)-Pyrazinecarboxylic acid, 4-[2-chloro-6-[(3,4-dimethoxybenzoyl)amino]phenyl]tetrahydro-, ethyl ester](/api/spectrum/25cphFfGBf5/structure.png?h=300&w=458 "1(2H)-Pyrazinecarboxylic acid, 4-[2-chloro-6-[(3,4-dimethoxybenzoyl)amino]phenyl]tetrahydro-, ethyl ester")
