| SpectraBase Spectrum ID |
2ZKYrEjGozU |
| Name |
1-Acetyl-6-(1,3-dimethyl-5-oxo-2-phenyl-4-pyrazolyl)-3-(4-methylphenyl)-2,6-dihydro-1,2,4-triazin-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.180089618 u |
| Formula |
C23H23N5O3 |
| InChI |
InChI=1S/C23H23N5O3/c1-14-10-12-17(13-11-14)21-24-22(30)20(27(25-21)16(3)29)19-15(2)28(26(4)23(19)31)18-8-6-5-7-9-18/h5-13,20H,1-4H3,(H,24,25,30) |
| InChIKey |
NHFOANLDUZVEPF-UHFFFAOYSA-N |
| Molecular Weight |
417.469 g/mol |
| SMILES |
C=1(C2N(NC(=NC2=O)C2=CC=C(C=C2)C)C(=O)C)C(N(C)N(C1C)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81245 |
