| SpectraBase Spectrum ID |
21LZTYoICby |
| Name |
4-((6-Hydroxy-4-oxo-4H-chromen-3-yl)methylene)-3-methyl-1-phenyl-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 |
346.095356935 u |
| Formula |
C20H14N2O4 |
| InChI |
InChI=1S/C20H14N2O4/c1-12-16(20(25)22(21-12)14-5-3-2-4-6-14)9-13-11-26-18-8-7-15(23)10-17(18)19(13)24/h2-11,23H,1H3/b16-9- |
| InChIKey |
LUPSGNMPIVHDSN-SXGWCWSVSA-N |
| Molecular Weight |
346.342 g/mol |
| SMILES |
C=1(C=C2C(=CC1)OC=C(C2=O)\C=C/1C(N(N=C1C)C1=CC=CC=C1)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978903 |
