| SpectraBase Compound ID | 7GdLckAodaI |
|---|---|
| InChI | InChI=1S/C18H15NO4/c1-20-14-5-3-12(4-6-14)9-13(10-19)15-7-8-16-18(17(15)21-2)23-11-22-16/h3-9H,11H2,1-2H3/b13-9+ |
| InChIKey | AKLHNLVGKJAGET-UKTHLTGXSA-N |
| Mol Weight | 309.32 g/mol |
| Molecular Formula | C18H15NO4 |
| Exact Mass | 309.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 98mfVdxbGJ6 |
|---|---|
| Name | 2-(4-Methoxy-2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)prop-2-enenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.100107963 u |
| Formula | C18H15NO4 |
| InChI | InChI=1S/C18H15NO4/c1-20-14-5-3-12(4-6-14)9-13(10-19)15-7-8-16-18(17(15)21-2)23-11-22-16/h3-9H,11H2,1-2H3/b13-9+ |
| InChIKey | AKLHNLVGKJAGET-UKTHLTGXSA-N |
| SMILES | C12=CC=C(C(=C2OCO1)OC)\C(=C\C=1C=CC(=CC1)OC)C#N |