| SpectraBase Compound ID | k1iZ4NE4JV |
|---|---|
| InChI | InChI=1S/C18H16N2O/c1-20-17-10-6-5-9-15(17)16(11-19)18(20)13-21-12-14-7-3-2-4-8-14/h2-10H,12-13H2,1H3 |
| InChIKey | OREWBLNTUZFJJO-UHFFFAOYSA-N |
| Mol Weight | 276.34 g/mol |
| Molecular Formula | C18H16N2O |
| Exact Mass | 276.126263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FwJaCSwITIB |
|---|---|
| Name | 2-(Benzyloxymethyl)-1-methyl-1H-indole-3-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.126263142 u |
| Formula | C18H16N2O |
| InChI | InChI=1S/C18H16N2O/c1-20-17-10-6-5-9-15(17)16(11-19)18(20)13-21-12-14-7-3-2-4-8-14/h2-10H,12-13H2,1H3 |
| InChIKey | OREWBLNTUZFJJO-UHFFFAOYSA-N |
| Molecular Weight | 276.339 g/mol |
| SMILES | C1=CC=C2C(=C1)C(C#N)=C(COCC1=CC=CC=C1)N2C |