| SpectraBase Spectrum ID |
LEVErNmf3op |
| Name |
Propyphenazone-m (di-ho-) 2ac P1189 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.152871811 u |
| Formula |
C18H22N2O5 |
| InChI |
InChI=1S/C18H22N2O5/c1-10(2)17-11(3)19(6)20(18(17)23)14-7-8-15(24-12(4)21)16(9-14)25-13(5)22/h7-10H,1-6H3 |
| InChIKey |
AKURHCZWBUNCPM-UHFFFAOYSA-N |
| Molecular Weight |
346.383 g/mol |
| SMILES |
CC(OC=1C(OC(=O)C)=CC=C(C1)N1N(C(C)=C(C1=O)C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931552 |
