| SpectraBase Spectrum ID |
KFK5T365P8r |
| Name |
4'-(2-Nitro-1-propenyl)acetanilide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.084792251 u |
| Formula |
C11H12N2O3 |
| InChI |
InChI=1S/C11H12N2O3/c1-8(13(15)16)7-10-3-5-11(6-4-10)12-9(2)14/h3-7H,1-2H3,(H,12,14)/b8-7- |
| InChIKey |
HLJNUAALUOPPOK-FPLPWBNLSA-N |
| Molecular Weight |
220.228 g/mol |
| SMILES |
C1=C(C=CC(=C1)\C=C\(N(=O)=O)C)NC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918394 |
