| SpectraBase Spectrum ID |
ESALat35pGu |
| Name |
Pyrazol-3-one, 4-(1-cyclopentylaminoethylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.153540517 u |
| Formula |
C17H20N4O3 |
| InChI |
InChI=1S/C17H20N4O3/c1-11(18-13-5-3-4-6-13)16-12(2)19-20(17(16)22)14-7-9-15(10-8-14)21(23)24/h7-10,13,18H,3-6H2,1-2H3/b16-11- |
| InChIKey |
NSMXHRUMUFVMFX-WJDWOHSUSA-N |
| Molecular Weight |
328.372 g/mol |
| SMILES |
C1(\C(C(=NN1C=1C=CC(N(=O)=O)=CC1)C)=C\(NC1CCCC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950137 |
