| SpectraBase Spectrum ID |
GeOdpm7H6qu |
| Name |
2-(1-(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)ureido)-N,N-dimethylpropionamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.180089618 u |
| Formula |
C17H23N5O3 |
| InChI |
InChI=1S/C17H23N5O3/c1-11-14(21(17(18)25)12(2)15(23)19(3)4)16(24)22(20(11)5)13-9-7-6-8-10-13/h6-10,12H,1-5H3,(H2,18,25) |
| InChIKey |
MSVBSJWBQBGRSL-UHFFFAOYSA-N |
| Molecular Weight |
345.403 g/mol |
| SMILES |
C1(N2N(C(C)=C(C2=O)N(C(C(N(C)C)=O)C)C(N)=O)C)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939896 |
