| SpectraBase Compound ID | AzFLVkqOH9F |
|---|---|
| InChI | InChI=1S/C35H45ClN4O5/c1-9-27(45-28-18-17-22(34(5,6)10-2)19-24(28)35(7,8)11-3)32(43)39-26-20-25(36)29(37-21(4)41)30(31(26)42)40-33(44)38-23-15-13-12-14-16-23/h12-20,27,42H,9-11H2,1-8H3,(H,37,41)(H,39,43)(H2,38,40,44) |
| InChIKey | ZSOFDPYOYQTMOE-UHFFFAOYSA-N |
| Mol Weight | 637.2 g/mol |
| Molecular Formula | C35H45ClN4O5 |
| Exact Mass | 636.307848 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5JjBjn08Y5s |
|---|---|
| Name | 4'-Acetamido-5'-chloro-2-(2,4-di-tert-pentylphenoxy)-2'-hydroxy-3'-(3-phenylureido)butyranilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 636.307848260 u |
| Formula | C35H45ClN4O5 |
| InChI | InChI=1S/C35H45ClN4O5/c1-9-27(45-28-18-17-22(34(5,6)10-2)19-24(28)35(7,8)11-3)32(43)39-26-20-25(36)29(37-21(4)41)30(31(26)42)40-33(44)38-23-15-13-12-14-16-23/h12-20,27,42H,9-11H2,1-8H3,(H,37,41)(H,39,43)(H2,38,40,44) |
| InChIKey | ZSOFDPYOYQTMOE-UHFFFAOYSA-N |
| Molecular Weight | 637.221 g/mol |
| SMILES | C1=C(NC(=O)C(CC)OC2=CC=C(C=C2C(C)(CC)C)C(C)(C)CC)C(=C(C(=C1Cl)NC(C)=O)NC(=O)NC1=CC=CC=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.812552 |