![Ethyl 4-Cyanocyclopenta[cd]azulene-1-carboxylate](/api/spectrum/CWK2Ag4pRiN/structure.png?h=300&w=458 "Ethyl 4-Cyanocyclopenta[cd]azulene-1-carboxylate")
| SpectraBase Compound ID | 1Hl9jYtsAwL |
|---|---|
| InChI | InChI=1S/C16H11NO2/c1-2-19-16(18)14-8-10-7-11(9-17)12-5-3-4-6-13(14)15(10)12/h3-8H,2H2,1H3 |
| InChIKey | ISCRXMKTDXEVQP-UHFFFAOYSA-N |
| Mol Weight | 249.27 g/mol |
| Molecular Formula | C16H11NO2 |
| Exact Mass | 249.078979 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CWK2Ag4pRiN |
|---|---|
| Name | Ethyl 4-Cyanocyclopenta[cd]azulene-1-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H11NO2 |
| InChI | InChI=1S/C16H11NO2/c1-2-19-16(18)14-8-10-7-11(9-17)12-5-3-4-6-13(14)15(10)12/h3-8H,2H2,1H3 |
| InChIKey | ISCRXMKTDXEVQP-UHFFFAOYSA-N |
| Molecular Weight | 249.269 g/mol |
| SMILES | c1ccc2c3c(cc2C#N)cc(c3c1)C(OCC)=O |
| SPLASH | splash10-0ufs-0290000000-5b3d35e07b5f17716abe |
| Source of Spectrum | H-97-515-8a |
| Wiley ID | 1784936 |