| SpectraBase Compound ID | 7ccxk9I6G9V |
|---|---|
| InChI | InChI=1S/C12H9N/c13-9-8-11-5-2-1-4-10-6-3-7-12(10)11/h1-7H,8H2 |
| InChIKey | YLJJWYJWDUNCFB-UHFFFAOYSA-N |
| Mol Weight | 167.21 g/mol |
| Molecular Formula | C12H9N |
| Exact Mass | 167.073499 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G7iTKHb8dnU |
|---|---|
| Name | 4-(Cyanomethyl}azulene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H9N |
| InChI | InChI=1S/C12H9N/c13-9-8-11-5-2-1-4-10-6-3-7-12(10)11/h1-7H,8H2 |
| InChIKey | YLJJWYJWDUNCFB-UHFFFAOYSA-N |
| Molecular Weight | 167.211 g/mol |
| SMILES | c12c(ccc2)ccccc1CC#N |
| SPLASH | splash10-014i-0900000000-21da649907bafb6b25e2 |
| Source of Spectrum | U-1994-617-3 |
| Synonyms | 4-Azulenylacetonitrile |
| Wiley ID | 765974 |