| SpectraBase Compound ID | CTCiuGgjK3S |
|---|---|
| InChI | InChI=1S/C16H16O4/c1-19-15-13(18)8-10-4-3-9-7-11(17)5-6-12(9)14(10)16(15)20-2/h5-8,17-18H,3-4H2,1-2H3 |
| InChIKey | NWPBSPADEDDKAO-UHFFFAOYSA-N |
| Mol Weight | 272.3 g/mol |
| Molecular Formula | C16H16O4 |
| Exact Mass | 272.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2O3cKQ6x3F1 |
|---|---|
| Name | Erianthridin (ele-6) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.104858991 u |
| Formula | C16H16O4 |
| InChI | InChI=1S/C16H16O4/c1-19-15-13(18)8-10-4-3-9-7-11(17)5-6-12(9)14(10)16(15)20-2/h5-8,17-18H,3-4H2,1-2H3 |
| InChIKey | NWPBSPADEDDKAO-UHFFFAOYSA-N |
| Molecular Weight | 272.300 g/mol |
| SMILES | C1=2C(=C(OC)C(=CC2CCC2=C1C=CC(O)=C2)O)OC |