| SpectraBase Spectrum ID |
7ajOsZsAnJ6 |
| Name |
1-(1-Ethoxybut-3-enyl)-4-nitrobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.105193344 u |
| Formula |
C12H15NO3 |
| InChI |
InChI=1S/C12H15NO3/c1-3-5-12(16-4-2)10-6-8-11(9-7-10)13(14)15/h3,6-9,12H,1,4-5H2,2H3 |
| InChIKey |
MLEUZWGTIWBQKM-UHFFFAOYSA-N |
| Molecular Weight |
221.256 g/mol |
| SMILES |
C1(N(=O)=O)=CC=C(C(CC=C)OCC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923309 |
