| SpectraBase Spectrum ID |
53OOgeiycaM |
| Name |
1-Phenyl-3-(pyridin-3-yl)propan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
211.099714042 u |
| Formula |
C14H13NO |
| InChI |
InChI=1S/C14H13NO/c16-14(13-6-2-1-3-7-13)9-8-12-5-4-10-15-11-12/h1-7,10-11H,8-9H2 |
| InChIKey |
VUZLPVAXOHPRLL-UHFFFAOYSA-N |
| Molecular Weight |
211.264 g/mol |
| SMILES |
C1(CCC(=O)C=2C=CC=CC2)=CN=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927952 |
