| SpectraBase Spectrum ID |
FaYOZNXVt7U |
| Name |
2-(2,4-di-Tert-pentylphenoxy)-N-(4-(5-oxo-3-(pyrrolidin-1-yl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)butanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
546.356991354 u |
| Formula |
C33H46N4O3 |
| InChI |
InChI=1S/C33H46N4O3/c1-8-27(40-28-18-13-23(32(4,5)9-2)21-26(28)33(6,7)10-3)31(39)34-24-14-16-25(17-15-24)37-30(38)22-29(35-37)36-19-11-12-20-36/h13-18,21,27H,8-12,19-20,22H2,1-7H3,(H,34,39) |
| InChIKey |
DHWXAXQBUFPPPW-UHFFFAOYSA-N |
| Molecular Weight |
546.756 g/mol |
| SMILES |
CCC(OC1=CC=C(C=C1C(C)(C)CC)C(C)(C)CC)C(=O)NC1=CC=C(C=C1)N1N=C(CC1=O)N1CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917831 |
