| SpectraBase Spectrum ID |
JRCCEwqLzn6 |
| Name |
3H-Pyrazol-3-one, 5-(2,3-dihydro-1H-indol-1-yl)-2,4-dihydro-2-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.121512114 u |
| Formula |
C17H15N3O |
| InChI |
InChI=1S/C17H15N3O/c21-17-12-16(18-20(17)14-7-2-1-3-8-14)19-11-10-13-6-4-5-9-15(13)19/h1-9H,10-12H2 |
| InChIKey |
HUJYSELHZWVDIH-UHFFFAOYSA-N |
| Molecular Weight |
277.327 g/mol |
| SMILES |
C1(=O)CC(N2CCC3=C2C=CC=C3)=NN1C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949059 |
