| SpectraBase Compound ID | DruJ93opRIe |
|---|---|
| InChI | InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3 |
| InChIKey | QZYHIOPPLUPUJF-UHFFFAOYSA-N |
| Mol Weight | 137.14 g/mol |
| Molecular Formula | C7H7NO2 |
| Exact Mass | 137.047678 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3C4ngXwgcWQ |
|---|---|
| Name | 3-Nitrotoluene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H7NO2 |
| InChI | InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3 |
| InChIKey | QZYHIOPPLUPUJF-UHFFFAOYSA-N |
| Molecular Weight | 137.138 g/mol |
| SMILES | c1(cc(ccc1)[N+](=O)[O-])C |
| SPLASH | splash10-000f-9800000000-00ec80a2d5895fa98e1c |
| Source of Spectrum | J-80-7881-3h |
| Synonyms | 1-Methyl-3-nitrobenzene |
| Wiley ID | 1801557 |