| SpectraBase Compound ID | HWzfXEkQnF |
|---|---|
| InChI | InChI=1S/C18H17NO2/c1-2-3-10-19-11-8-13(9-12-19)16-17(20)14-6-4-5-7-15(14)18(16)21/h4-9,11-12H,2-3,10H2,1H3 |
| InChIKey | NHMMAEHDXJGRMT-UHFFFAOYSA-N |
| Mol Weight | 279.34 g/mol |
| Molecular Formula | C18H17NO2 |
| Exact Mass | 279.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42qTRRTZIRF |
|---|---|
| Name | 2-(1-Butyl-4(1H)-pyridylidene)-1,3-indandione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.125928789 u |
| Formula | C18H17NO2 |
| InChI | InChI=1S/C18H17NO2/c1-2-3-10-19-11-8-13(9-12-19)16-17(20)14-6-4-5-7-15(14)18(16)21/h4-9,11-12H,2-3,10H2,1H3 |
| InChIKey | NHMMAEHDXJGRMT-UHFFFAOYSA-N |
| Molecular Weight | 279.339 g/mol |
| SMILES | C12=CC=CC=C1C(C(C2=O)=C1C=CN(C=C1)CCCC)=O |