![1-methyl-2-[3,4-(methylenedioxy)phenyl]-4(1H)-quinolone](/api/spectrum/E3v2hU4Tkly/structure.png?h=300&w=458 "1-methyl-2-[3,4-(methylenedioxy)phenyl]-4(1H)-quinolone")
| SpectraBase Compound ID | Hv5bBh8pFJX |
|---|---|
| InChI | InChI=1S/C17H13NO3/c1-18-13-5-3-2-4-12(13)15(19)9-14(18)11-6-7-16-17(8-11)21-10-20-16/h2-9H,10H2,1H3 |
| InChIKey | COBBNRKBTCBWQP-UHFFFAOYSA-N |
| Mol Weight | 279.29 g/mol |
| Molecular Formula | C17H13NO3 |
| Exact Mass | 279.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E3v2hU4Tkly |
|---|---|
| Name | 1-Methyl-2-[3,4-(methylenedioxy)phenyl]-4(1H)-quinolone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.089543280 u |
| Formula | C17H13NO3 |
| InChI | InChI=1S/C17H13NO3/c1-18-13-5-3-2-4-12(13)15(19)9-14(18)11-6-7-16-17(8-11)21-10-20-16/h2-9H,10H2,1H3 |
| InChIKey | COBBNRKBTCBWQP-UHFFFAOYSA-N |
| Molecular Weight | 279.295 g/mol |
| SMILES | C=12C=CC=CC1N(C(=CC2=O)C=1C=CC=2OCOC2C1)C |