| SpectraBase Compound ID | Is0v2TNiaOj |
|---|---|
| InChI | InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3 |
| InChIKey | ZPTVNYMJQHSSEA-UHFFFAOYSA-N |
| Mol Weight | 137.14 g/mol |
| Molecular Formula | C7H7NO2 |
| Exact Mass | 137.047678 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1bsGvdm09Gl |
|---|---|
| Name | p-Nitrotoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 137.047678467 u |
| Formula | C7H7NO2 |
| InChI | InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3 |
| InChIKey | ZPTVNYMJQHSSEA-UHFFFAOYSA-N |
| Molecular Weight | 137.138 g/mol |
| SMILES | N(=O)(=O)C=1C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Raman) | 0.98334 |