| SpectraBase Compound ID | 1WQtcZzAYF |
|---|---|
| InChI | InChI=1S/C18H14O6/c1-22-12-6-4-5-10-14(12)17(20)15-11(16(10)19)7-9(18(21)24-3)8-13(15)23-2/h4-8H,1-3H3 |
| InChIKey | BTJNSKRJTWQUNP-UHFFFAOYSA-N |
| Mol Weight | 326.3 g/mol |
| Molecular Formula | C18H14O6 |
| Exact Mass | 326.079038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BApeovt2D6r |
|---|---|
| Name | Phein, dimethyl ether, methylester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.079038165 u |
| Formula | C18H14O6 |
| InChI | InChI=1S/C18H14O6/c1-22-12-6-4-5-10-14(12)17(20)15-11(16(10)19)7-9(18(21)24-3)8-13(15)23-2/h4-8H,1-3H3 |
| InChIKey | BTJNSKRJTWQUNP-UHFFFAOYSA-N |
| Molecular Weight | 326.304 g/mol |
| SMILES | C1=C(C=C2C(=C1OC)C(C1=C(C=CC=C1C2=O)OC)=O)C(OC)=O |