| SpectraBase Spectrum ID |
3hVZmqKJsif |
| Name |
3-Pyrazolin-5-one, 2,3-dimethyl-1-phenyl-4-(3,4,5-trimethoxyphenylcarbonylmethylamino)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.179420912 u |
| Formula |
C22H25N3O5 |
| InChI |
InChI=1S/C22H25N3O5/c1-14-19(22(27)25(24(14)3)16-10-8-7-9-11-16)23(2)21(26)15-12-17(28-4)20(30-6)18(13-15)29-5/h7-13H,1-6H3 |
| InChIKey |
ISRFHKPFMHNXPQ-UHFFFAOYSA-N |
| Molecular Weight |
411.458 g/mol |
| SMILES |
C1=CC=CC=C1N1C(C(N(C(C2=CC(=C(C(=C2)OC)OC)OC)=O)C)=C(N1C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944555 |
