| SpectraBase Spectrum ID |
IWHzc3wbr6V |
| Name |
Propynone, 3-(2-aminophenyl)-1-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.084063977 u |
| Formula |
C15H11NO |
| InChI |
InChI=1S/C15H11NO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-9H,16H2 |
| InChIKey |
XHHRZTKNLFQIHL-UHFFFAOYSA-N |
| Molecular Weight |
221.259 g/mol |
| SMILES |
C(#CC1=C(N)C=CC=C1)C(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89355 |
