| SpectraBase Spectrum ID |
3PHa5Uyn9hv |
| Name |
Diethyl 1-(anilinocarbonyl)-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.132470719 u |
| Formula |
C16H19N3O5 |
| InChI |
InChI=1S/C16H19N3O5/c1-3-23-14(20)12-10-13(15(21)24-4-2)19(18-12)16(22)17-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3,(H,17,22) |
| InChIKey |
LRDOQYXNDGYVKJ-UHFFFAOYSA-N |
| Molecular Weight |
333.344 g/mol |
| SMILES |
C1(C(OCC)=O)=NN(C(=O)NC2=CC=CC=C2)C(C(=O)OCC)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943753 |
