| SpectraBase Compound ID | 3vHgWDoPkr5 |
|---|---|
| InChI | InChI=1S/C9H12N2O2/c1-2-10-7-8-5-3-4-6-9(8)11(12)13/h3-6,10H,2,7H2,1H3 |
| InChIKey | OBWDZKHLYOUOCP-UHFFFAOYSA-N |
| Mol Weight | 180.21 g/mol |
| Molecular Formula | C9H12N2O2 |
| Exact Mass | 180.089878 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4vFL0418z1P |
|---|---|
| Name | N-(2-Nitrobenzyl)ethanamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.089877632 u |
| Formula | C9H12N2O2 |
| InChI | InChI=1S/C9H12N2O2/c1-2-10-7-8-5-3-4-6-9(8)11(12)13/h3-6,10H,2,7H2,1H3 |
| InChIKey | OBWDZKHLYOUOCP-UHFFFAOYSA-N |
| Molecular Weight | 180.207 g/mol |
| SMILES | CCNCC1=CC=CC=C1N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925184 |