| SpectraBase Spectrum ID |
1LMmK3mzY0u |
| Name |
5-(Naphthalen-2-yl)-5-oxopentanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
223.099714042 u |
| Formula |
C15H13NO |
| InChI |
InChI=1S/C15H13NO/c16-10-4-3-7-15(17)14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11H,3-4,7H2 |
| InChIKey |
WQIIHIWDWYKNKZ-UHFFFAOYSA-N |
| Molecular Weight |
223.275 g/mol |
| SMILES |
C=1C(=CC=C2C1C=CC=C2)C(=O)CCCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952872 |
