| SpectraBase Spectrum ID |
A3EaXMoqeeN |
| Name |
3-Pyrazolin-5-one, 2,3-dimethyl-1-phenyl-4-(3,4,5-trimethoxyphenylcarbonylamino)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.163770848 u |
| Formula |
C21H23N3O5 |
| InChI |
InChI=1S/C21H23N3O5/c1-13-18(21(26)24(23(13)2)15-9-7-6-8-10-15)22-20(25)14-11-16(27-3)19(29-5)17(12-14)28-4/h6-12H,1-5H3,(H,22,25) |
| InChIKey |
RXCPZVOWGQUCLV-UHFFFAOYSA-N |
| Molecular Weight |
397.431 g/mol |
| SMILES |
C1=CC=CC=C1N1C(C(NC(C2=CC(=C(C(=C2)OC)OC)OC)=O)=C(N1C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957053 |
