| SpectraBase Compound ID | 3KHVD1hYF0K |
|---|---|
| InChI | InChI=1S/C8H9NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6H,2H2,1H3 |
| InChIKey | RXAKLPGKSXJZEF-UHFFFAOYSA-N |
| Mol Weight | 151.16 g/mol |
| Molecular Formula | C8H9NO2 |
| Exact Mass | 151.063329 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 | FYlOfbLYcbu |
|---|---|
| Name | 1-Ethyl-3-nitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 151.063328532 u |
| Formula | C8H9NO2 |
| InChI | InChI=1S/C8H9NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6H,2H2,1H3 |
| InChIKey | RXAKLPGKSXJZEF-UHFFFAOYSA-N |
| Molecular Weight | 151.165 g/mol |
| SMILES | C1(=CC(=CC=C1)CC)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938066 |