| SpectraBase Compound ID | CWEBkC0WFgu |
|---|---|
| InChI | InChI=1S/C17H16N2O2/c1-10-5-7-11(8-6-10)15-12(9-18)17(19)21-14-4-2-3-13(20)16(14)15/h5-8,15H,2-4,19H2,1H3 |
| InChIKey | ULYOODAPSTYMOS-UHFFFAOYSA-N |
| Mol Weight | 280.33 g/mol |
| Molecular Formula | C17H16N2O2 |
| Exact Mass | 280.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GhIKzjISWJZ |
|---|---|
| Name | Chromane-3-carbonitrile, 2,3-dehydro-5,6,7,8-tetrahydro-2-amino-4-(4-methylphenyl)-5-oxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.121177761 u |
| Formula | C17H16N2O2 |
| InChI | InChI=1S/C17H16N2O2/c1-10-5-7-11(8-6-10)15-12(9-18)17(19)21-14-4-2-3-13(20)16(14)15/h5-8,15H,2-4,19H2,1H3 |
| InChIKey | ULYOODAPSTYMOS-UHFFFAOYSA-N |
| SMILES | C1(=C(OC2=C(C1C=1C=CC(C)=CC1)C(=O)CCC2)N)C#N |