| SpectraBase Compound ID | AYKPmGjh7SN |
|---|---|
| InChI | InChI=1S/C12H7NO/c1-2-12(14)11-7-9-5-3-4-6-10(9)8-13-11/h1,3-8H |
| InChIKey | QENIZTBQBJNNNE-UHFFFAOYSA-N |
| Mol Weight | 181.19 g/mol |
| Molecular Formula | C12H7NO |
| Exact Mass | 181.052764 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C25kFhl9vkC |
|---|---|
| Name | 1-(Isoquinolin-3-yl)propyn-1-one |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H7NO |
| InChI | InChI=1S/C12H7NO/c1-2-12(14)11-7-9-5-3-4-6-10(9)8-13-11/h1,3-8H |
| InChIKey | QENIZTBQBJNNNE-UHFFFAOYSA-N |
| Molecular Weight | 181.194 g/mol |
| SMILES | C(C#C)(=O)c1ncc2c(c1)cccc2 |
| SPLASH | splash10-0ufr-1900000000-b34c7ca4f6407f3c3b6e |
| Source of Spectrum | KD-12-1193-6 |
| Synonyms | 1-(3-isoquinolinyl)-2-propyn-1-one |
| Wiley ID | 1634389 |