| SpectraBase Compound ID | GNsrde6riPQ |
|---|---|
| InChI | InChI=1S/C17H17NO3/c1-11(2)9-10-14-16(21-12(3)19)13-7-5-6-8-15(13)18(4)17(14)20/h5-10H,1H2,2-4H3/b10-9+ |
| InChIKey | YDADJERBQDYWOS-MDZDMXLPSA-N |
| Mol Weight | 283.33 g/mol |
| Molecular Formula | C17H17NO3 |
| Exact Mass | 283.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1MlfLREAW4a |
|---|---|
| Name | (E)-4-Acetoxy-1-methyl-3-(3'-methylbut-1',3'-dienyl)-1,2-dihydroquinoline-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.120843408 u |
| Formula | C17H17NO3 |
| InChI | InChI=1S/C17H17NO3/c1-11(2)9-10-14-16(21-12(3)19)13-7-5-6-8-15(13)18(4)17(14)20/h5-10H,1H2,2-4H3/b10-9+ |
| InChIKey | YDADJERBQDYWOS-MDZDMXLPSA-N |
| SMILES | C1(=C(C=2C=CC=CC2N(C1=O)C)OC(=O)C)\C=C\C(=C)C |