| SpectraBase Spectrum ID |
EIatTXgqhOs |
| Name |
1-(Ethoxycarbonyl)-3-methyl-4-(phenylimino)-1H-pyrazol-5(4H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.095691288 u |
| Formula |
C13H13N3O3 |
| InChI |
InChI=1S/C13H13N3O3/c1-3-19-13(18)16-12(17)11(9(2)15-16)14-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3/b14-11- |
| InChIKey |
XJNWQFQDAJGMNH-KAMYIIQDSA-N |
| SMILES |
C1(N(N=C(\C1=N/C1=CC=CC=C1)C)C(=O)OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96352 |
