| SpectraBase Compound ID | CPtzk4AztXS |
|---|---|
| InChI | InChI=1S/C18H13NO3S/c1-13-2-9-17(10-3-13)23(20,21)22-16-7-6-14-4-5-15(12-19)18(14)11-8-16/h2-11H,1H3 |
| InChIKey | HRWOTQABCNBPQP-UHFFFAOYSA-N |
| Mol Weight | 323.37 g/mol |
| Molecular Formula | C18H13NO3S |
| Exact Mass | 323.061614 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 21Pm6RyLM18 |
|---|---|
| Name | 1-Cyano-6-tosyloxyazulene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H13NO3S |
| InChI | InChI=1S/C18H13NO3S/c1-13-2-9-17(10-3-13)23(20,21)22-16-7-6-14-4-5-15(12-19)18(14)11-8-16/h2-11H,1H3 |
| InChIKey | HRWOTQABCNBPQP-UHFFFAOYSA-N |
| Molecular Weight | 323.366 g/mol |
| SMILES | c1(OS(c2ccc(cc2)C)(=O)=O)ccc2c(C#N)ccc2cc1 |
| SPLASH | splash10-052f-8903000000-ff74b148e68a44c35287 |
| Source of Spectrum | U1-2000-196-4a |
| Wiley ID | 753860 |