| SpectraBase Compound ID | 3GsXaKWj6rp |
|---|---|
| InChI | InChI=1S/C12H9NO/c1-2-7-13-8-10(9-14)11-5-3-4-6-12(11)13/h1,3-6,8-9H,7H2 |
| InChIKey | DETIMAFLOAYCBG-UHFFFAOYSA-N |
| Mol Weight | 183.21 g/mol |
| Molecular Formula | C12H9NO |
| Exact Mass | 183.068414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AbKS7grxvJE |
|---|---|
| Name | 1-(2-Propynyl)-1H-indole-3-carbaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.068413913 u |
| Formula | C12H9NO |
| InChI | InChI=1S/C12H9NO/c1-2-7-13-8-10(9-14)11-5-3-4-6-12(11)13/h1,3-6,8-9H,7H2 |
| InChIKey | DETIMAFLOAYCBG-UHFFFAOYSA-N |
| Molecular Weight | 183.210 g/mol |
| SMILES | C1=2N(C=C(C2C=CC=C1)C=O)CC#C |