| SpectraBase Spectrum ID |
6BbY4CxKlCk |
| Name |
(3-Nitrophenyl)-dipropyl-amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.136827826 u |
| Formula |
C12H18N2O2 |
| InChI |
InChI=1S/C12H18N2O2/c1-3-8-13(9-4-2)11-6-5-7-12(10-11)14(15)16/h5-7,10H,3-4,8-9H2,1-2H3 |
| InChIKey |
MVNFMVPWOYGTRT-UHFFFAOYSA-N |
| Molecular Weight |
222.288 g/mol |
| SMILES |
C1(N(=O)=O)=CC(N(CCC)CCC)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91883 |
