| SpectraBase Compound ID | 2AuD3YHkoG2 |
|---|---|
| InChI | InChI=1S/C8H9NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3 |
| InChIKey | PXWYZLWEKCMTEZ-UHFFFAOYSA-N |
| Mol Weight | 151.16 g/mol |
| Molecular Formula | C8H9NO2 |
| Exact Mass | 151.063329 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7SUVKH6YjWJ |
|---|---|
| Name | 1-Ethyl-2-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/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3 |
| InChIKey | PXWYZLWEKCMTEZ-UHFFFAOYSA-N |
| Molecular Weight | 151.165 g/mol |
| SMILES | N(=O)(=O)C=1C=CC=CC1CC |
| Spectrum/Structure Validation Score (Raman) | 0.981554 |