| SpectraBase Compound ID | DjpC6vUKGVF |
|---|---|
| InChI | InChI=1S/C20H16O4/c1-10(2)17-8-14-16(23-17)6-5-12-15-9-22-18-7-11(21)3-4-13(18)20(15)24-19(12)14/h3-8,15,20-21H,1,9H2,2H3 |
| InChIKey | BNHKKFCHFULPFL-UHFFFAOYSA-N |
| Mol Weight | 320.34 g/mol |
| Molecular Formula | C20H16O4 |
| Exact Mass | 320.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ICxPA4VERFj |
|---|---|
| Name | Crotafuran A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.104858991 u |
| Formula | C20H16O4 |
| InChI | InChI=1S/C20H16O4/c1-10(2)17-8-14-16(23-17)6-5-12-15-9-22-18-7-11(21)3-4-13(18)20(15)24-19(12)14/h3-8,15,20-21H,1,9H2,2H3 |
| InChIKey | BNHKKFCHFULPFL-UHFFFAOYSA-N |
| Molecular Weight | 320.344 g/mol |
| SMILES | C1=2C=3C=C(C(=C)C)OC3C=CC2C2COC=3C(C2O1)=CC=C(O)C3 |