| SpectraBase Spectrum ID |
6S1atWKkhNe |
| Name |
4 -A C E T Y L -N -(2 -C Y A N o p H E N Y L) B E N Z A m I D E |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.089877632 u |
| Formula |
C16H12N2O2 |
| InChI |
InChI=1S/C16H12N2O2/c1-11(19)12-6-8-13(9-7-12)16(20)18-15-5-3-2-4-14(15)10-17/h2-9H,1H3,(H,18,20) |
| InChIKey |
XMUUOLONFLVXPN-UHFFFAOYSA-N |
| Molecular Weight |
264.284 g/mol |
| SMILES |
C(NC=1C(C#N)=CC=CC1)(C1=CC=C(C=C1)C(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923797 |
