| SpectraBase Compound ID | HpwAxMRHqOs |
|---|---|
| InChI | InChI=1S/C8H7N/c1-7-4-3-5-8(6-7)9-2/h3-6H,1H3 |
| InChIKey | PWGXNGSDQHRHCZ-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 | DUkj4Gp8pZT |
|---|---|
| Name | Benzene, 1-isocyano-3-methyl- |
| CAS Registry Number | 20600-54-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7N |
| InChI | InChI=1S/C8H7N/c1-7-4-3-5-8(6-7)9-2/h3-6H,1H3 |
| InChIKey | PWGXNGSDQHRHCZ-UHFFFAOYSA-N |
| Molecular Weight | 117.151 g/mol |
| SMILES | Cc1cccc(c1)[N+]#[C-] |
| SPLASH | splash10-014i-3900000000-97c2c061ab30bb929114 |
| Source of Spectrum | T-68-1037-0 |
| Synonyms | 1-isocyano-3-methyl-benzene m-Tolyl isocyanide |
| Wiley ID | 1126159 |