| SpectraBase Compound ID | LqPlPfgPNIq |
|---|---|
| InChI | InChI=1S/C12H10N2O/c13-6-3-7-14-8-10(9-15)11-4-1-2-5-12(11)14/h1-2,4-5,8-9H,3,7H2 |
| InChIKey | UTWRGCLFZOWWSI-UHFFFAOYSA-N |
| Mol Weight | 198.22 g/mol |
| Molecular Formula | C12H10N2O |
| Exact Mass | 198.079313 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HhSBlxCR6W6 |
|---|---|
| Name | 1H-Indole-1-propanenitrile, 3-formyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.079312949 u |
| Formula | C12H10N2O |
| InChI | InChI=1S/C12H10N2O/c13-6-3-7-14-8-10(9-15)11-4-1-2-5-12(11)14/h1-2,4-5,8-9H,3,7H2 |
| InChIKey | UTWRGCLFZOWWSI-UHFFFAOYSA-N |
| Molecular Weight | 198.225 g/mol |
| SMILES | C(C1=CN(C=2C1=CC=CC2)CCC#N)=O |