| SpectraBase Compound ID | KQtmy6iDuOD |
|---|---|
| InChI | InChI=1S/C30H42ClN3O5/c1-10-23(39-24-14-13-19(29(6,7)11-2)15-20(24)30(8,9)12-3)28(38)34-22-16-21(31)25(32-17(4)35)26(27(22)37)33-18(5)36/h13-16,23,37H,10-12H2,1-9H3,(H,32,35)(H,33,36)(H,34,38) |
| InChIKey | CPAIBLQUPVVIHI-UHFFFAOYSA-N |
| Mol Weight | 560.1 g/mol |
| Molecular Formula | C30H42ClN3O5 |
| Exact Mass | 559.281299 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 106QrU4FzU1 |
|---|---|
| Name | 3',4'-Diacetamido-5'-chloro-2-(2,4-di-tert-pentylphenoxy)-2'-hydroxybutyranilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 559.281299159 u |
| Formula | C30H42ClN3O5 |
| InChI | InChI=1S/C30H42ClN3O5/c1-10-23(39-24-14-13-19(29(6,7)11-2)15-20(24)30(8,9)12-3)28(38)34-22-16-21(31)25(32-17(4)35)26(27(22)37)33-18(5)36/h13-16,23,37H,10-12H2,1-9H3,(H,32,35)(H,33,36)(H,34,38) |
| InChIKey | CPAIBLQUPVVIHI-UHFFFAOYSA-N |
| Molecular Weight | 560.135 g/mol |
| Nominal Mass | 559 u |
| 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)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889343 |