| SpectraBase Compound ID | 3d3X5zoVgHt |
|---|---|
| InChI | InChI=1S/C17H14O3/c1-11-5-3-4-6-12(11)9-16-17(18)14-8-7-13(19-2)10-15(14)20-16/h3-10H,1-2H3/b16-9+ |
| InChIKey | XKZIXQXQVDIDCC-CXUHLZMHSA-N |
| Mol Weight | 266.3 g/mol |
| Molecular Formula | C17H14O3 |
| Exact Mass | 266.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DrLaLDx29zN |
|---|---|
| Name | (2E)-6-Methoxy-2-(2-methylbenzylidene)coumaran-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.094294308 u |
| Formula | C17H14O3 |
| InChI | InChI=1S/C17H14O3/c1-11-5-3-4-6-12(11)9-16-17(18)14-8-7-13(19-2)10-15(14)20-16/h3-10H,1-2H3/b16-9+ |
| InChIKey | XKZIXQXQVDIDCC-CXUHLZMHSA-N |
| Molecular Weight | 266.296 g/mol |
| SMILES | C1(\C(OC2=CC(=CC=C12)OC)=C/C=1C(C)=CC=CC1)=O |