| SpectraBase Spectrum ID |
3F62IHpat0W |
| Name |
2-Diallylamino-3'-nitroacetophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.116092380 u |
| Formula |
C14H16N2O3 |
| InChI |
InChI=1S/C14H16N2O3/c1-3-8-15(9-4-2)11-14(17)12-6-5-7-13(10-12)16(18)19/h3-7,10H,1-2,8-9,11H2 |
| InChIKey |
BPRVSAPKFXRWHL-UHFFFAOYSA-N |
| Molecular Weight |
260.293 g/mol |
| SMILES |
C=1(C(CN(CC=C)CC=C)=O)C=C([N+](=O)[O-])C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841808 |
