| SpectraBase Compound ID | 61uf1xQUXhX |
|---|---|
| InChI | InChI=1S/C18H16O6/c1-21-13-3-7-15(8-4-13)23-17(19)11-12-18(20)24-16-9-5-14(22-2)6-10-16/h3-12H,1-2H3/b12-11+ |
| InChIKey | GMPXJJLSVLCCHM-VAWYXSNFSA-N |
| Mol Weight | 328.32 g/mol |
| Molecular Formula | C18H16O6 |
| Exact Mass | 328.094688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ooC3y9S3n5 |
|---|---|
| Name | Fumaric acid, di(4-methoxyphenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.094688229 u |
| Formula | C18H16O6 |
| InChI | InChI=1S/C18H16O6/c1-21-13-3-7-15(8-4-13)23-17(19)11-12-18(20)24-16-9-5-14(22-2)6-10-16/h3-12H,1-2H3/b12-11+ |
| InChIKey | GMPXJJLSVLCCHM-VAWYXSNFSA-N |
| Molecular Weight | 328.320 g/mol |
| SMILES | COC1=CC=C(OC(\C=C\C(OC2=CC=C(C=C2)OC)=O)=O)C=C1 |