| SpectraBase Compound ID | 6TKplaQoO9G |
|---|---|
| InChI | InChI=1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3 |
| InChIKey | NWPNXBQSRGKSJB-UHFFFAOYSA-N |
| Mol Weight | 117.15 g/mol |
| Molecular Formula | C8H7N |
| Exact Mass | 117.057849 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 21zuUeyOYQK |
|---|---|
| Name | ortho-Tolunitrile |
| Comments | MONAID: JP001649 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7N |
| InChI | InChI=1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3 |
| InChIKey | NWPNXBQSRGKSJB-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 117.151 g/mol |
| SMILES | C(#N)c1ccccc1C |
| SPLASH | splash10-014i-7900000000-889160ab53dab0c29b96 |
| Source of Spectrum | SRH-2022-1649-0 |
| Synonyms | 1-Methyl-2-cyanobenzene |
| Wiley ID | 1824064 |