| SpectraBase Compound ID | 529YBdo1EDz |
|---|---|
| InChI | InChI=1S/C8H6ClN/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1H3 |
| InChIKey | HMYTUIQTUYBFLB-UHFFFAOYSA-N |
| Mol Weight | 151.6 g/mol |
| Molecular Formula | C8H6ClN |
| Exact Mass | 151.018877 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GbzUkuf8KJE |
|---|---|
| Name | 2-Chloranyl-1-isocyano-4-methyl-benzene |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H6ClN |
| InChI | InChI=1S/C8H6ClN/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1H3 |
| InChIKey | HMYTUIQTUYBFLB-UHFFFAOYSA-N |
| Molecular Weight | 151.596 g/mol |
| SMILES | c1([N+]#[C-])c(cc(cc1)C)Cl |
| SPLASH | splash10-014i-3900000000-510b241df1654e0a2bf9 |
| Source of Spectrum | AT-33-4782-3 |
| Synonyms | 2-Chloro-1-isocyano-4-methyl-benzene |
| Wiley ID | 836311 |