| SpectraBase Compound ID | HUGJwE0kLMp |
|---|---|
| InChI | InChI=1S/C10H12N2O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14/h2,4-7,11H,1,3,8H2 |
| InChIKey | OTIHGWFOGDPBEL-UHFFFAOYSA-N |
| Mol Weight | 192.22 g/mol |
| Molecular Formula | C10H12N2O2 |
| Exact Mass | 192.089878 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IDi7J79TC6V |
|---|---|
| Name | but-3-Enyl-(2-nitrophenyl)amine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.089877632 u |
| Formula | C10H12N2O2 |
| InChI | InChI=1S/C10H12N2O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14/h2,4-7,11H,1,3,8H2 |
| InChIKey | OTIHGWFOGDPBEL-UHFFFAOYSA-N |
| Molecular Weight | 192.218 g/mol |
| SMILES | C=1(N(=O)=O)C(NCCC=C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950786 |