| SpectraBase Spectrum ID |
2SizKIAzIjT |
| Name |
Acetonitrile, (2-benzoylphenoxy)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.078978596 u |
| Formula |
C15H11NO2 |
| InChI |
InChI=1S/C15H11NO2/c16-10-11-18-14-9-5-4-8-13(14)15(17)12-6-2-1-3-7-12/h1-9H,11H2 |
| InChIKey |
UEVJMJNTRIUOHL-UHFFFAOYSA-N |
| Molecular Weight |
237.258 g/mol |
| SMILES |
C(C=1C(OCC#N)=CC=CC1)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958998 |