| SpectraBase Compound ID | KEwUafONBAP |
|---|---|
| InChI | InChI=1S/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2 |
| InChIKey | NNKQLUVBPJEUOR-UHFFFAOYSA-N |
| Mol Weight | 117.15 g/mol |
| Molecular Formula | C8H7N |
| Exact Mass | 117.057849 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AThs5D6CWPl |
|---|---|
| Name | 3-Ethynylaniline |
| Alternate Name(s) | Benzenamine, 3-ethynyl- m-Aminophenylacetylene |
| CAS Registry Number | 54060-30-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7N |
| InChI | InChI=1S/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2 |
| InChIKey | NNKQLUVBPJEUOR-UHFFFAOYSA-N |
| Molecular Weight | 117.151 g/mol |
| SMILES | Nc1cc(ccc1)C#C |
| SPLASH | splash10-014i-4900000000-869d397ff726f58430a9 |
| Source of Spectrum | NP-0-4720-0 |
| Wiley ID | 1095981 |