| SpectraBase Compound ID | GAtvC2i6nyT |
|---|---|
| InChI | InChI=1S/C21H18N2O2/c1-3-13(2)14-8-10-15(11-9-14)23-18(12-22)19-20(24)16-6-4-5-7-17(16)21(19)25/h4-11,13,23H,3H2,1-2H3 |
| InChIKey | DHYXSSAUTXJIFG-UHFFFAOYSA-N |
| Mol Weight | 330.39 g/mol |
| Molecular Formula | C21H18N2O2 |
| Exact Mass | 330.136828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EIs9upn38oQ |
|---|---|
| Name | 1,3-Dioxo-alpha-(p-sec-butylanilino)-delta square, alpha-indanacetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.136827826 u |
| Formula | C21H18N2O2 |
| InChI | InChI=1S/C21H18N2O2/c1-3-13(2)14-8-10-15(11-9-14)23-18(12-22)19-20(24)16-6-4-5-7-17(16)21(19)25/h4-11,13,23H,3H2,1-2H3 |
| InChIKey | DHYXSSAUTXJIFG-UHFFFAOYSA-N |
| SMILES | N(C(=C1C(C=2C=CC=CC2C1=O)=O)C#N)C=1C=CC(=CC1)C(CC)C |