| SpectraBase Compound ID | 51FxNbP8Iyd |
|---|---|
| InChI | InChI=1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6H,1,7H2 |
| InChIKey | IOLFAUFETSIJDP-UHFFFAOYSA-N |
| Mol Weight | 163.18 g/mol |
| Molecular Formula | C9H9NO2 |
| Exact Mass | 163.063329 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 | AXse8T8hi6O |
|---|---|
| Name | (2-Nitroallyl)-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.063328532 u |
| Formula | C9H9NO2 |
| InChI | InChI=1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6H,1,7H2 |
| InChIKey | IOLFAUFETSIJDP-UHFFFAOYSA-N |
| Molecular Weight | 163.176 g/mol |
| SMILES | C1=CC(CC(=C)N(=O)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872688 |