| SpectraBase Spectrum ID |
DT1DYCfiXr4 |
| Name |
Butanamide, 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-[4-[4,5-dihydro-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl]phenyl]- |
| 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(40-28-16-11-23(21-32(2,3)4)19-24(28)22-33(5,6)7)31(39)34-25-12-14-26(15-13-25)37-30(38)20-29(35-37)36-17-9-10-18-36/h11-16,19,27H,8-10,17-18,20-22H2,1-7H3,(H,34,39) |
| InChIKey |
DVTHACZRKCIIDS-UHFFFAOYSA-N |
| Molecular Weight |
546.756 g/mol |
| SMILES |
CCC(OC1=CC=C(CC(C)(C)C)C=C1CC(C)(C)C)C(=O)NC1=CC=C(C=C1)N1N=C(CC1=O)N1CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884716 |
![Butanamide, 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-[4-[4,5-dihydro-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl]phenyl]-](/api/spectrum/DT1DYCfiXr4/structure.png?h=300&w=458 "Butanamide, 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-[4-[4,5-dihydro-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl]phenyl]-")
