| SpectraBase Spectrum ID |
CXBJXnUWu6E |
| Name |
4-Nitro-N-(3-phenylprop-2-ynyl)benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.084792251 u |
| Formula |
C16H12N2O3 |
| InChI |
InChI=1S/C16H12N2O3/c19-16(14-8-10-15(11-9-14)18(20)21)17-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,12H2,(H,17,19) |
| InChIKey |
CZEISIBQCCOULZ-UHFFFAOYSA-N |
| SMILES |
C(C1=CC=C(C=C1)[N+]([O-])=O)(=O)NCC#CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825701 |
