| SpectraBase Spectrum ID |
JeHoU94nvpb |
| Name |
1H-Pyrazole-4,5-dicarboxylic acid, 4,5-dihydro-1-methyl-3-phenyl-, diethyl ester, trans- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.142307128 u |
| Formula |
C16H20N2O4 |
| InChI |
InChI=1S/C16H20N2O4/c1-4-21-15(19)12-13(11-9-7-6-8-10-11)17-18(3)14(12)16(20)22-5-2/h6-10,12,14H,4-5H2,1-3H3/t12-,14-/m0/s1 |
| InChIKey |
YSPRTLAVGVMFJQ-JSGCOSHPSA-N |
| Molecular Weight |
304.346 g/mol |
| SMILES |
C1(=NN([C@@]([C@]1(C(=O)OCC)[H])(C(=O)OCC)[H])C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942911 |
