| SpectraBase Spectrum ID |
JoSnI7hui0F |
| Name |
Kebuzone-m (ho-) enol 2me P1292 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.157957192 u |
| Formula |
C21H22N2O4 |
| InChI |
InChI=1S/C21H22N2O4/c1-15(26-2)9-14-19-20(24)22(16-7-5-4-6-8-16)23(21(19)25)17-10-12-18(27-3)13-11-17/h4-13,19H,14H2,1-3H3/b15-9+ |
| InChIKey |
YHLQHOXSOONCQI-OQLLNIDSSA-N |
| Molecular Weight |
366.417 g/mol |
| SMILES |
COC1=CC=C(C=C1)N1N(C2=CC=CC=C2)C(=O)C(C\C=C/(OC)C)C1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915835 |
