| SpectraBase Compound ID | GYnRtc20iJg |
|---|---|
| InChI | InChI=1S/C17H22O6/c1-11(2)12(3)22-15(18)9-10-16(19)23-17-13(20-4)7-6-8-14(17)21-5/h6-12H,1-5H3/b10-9+ |
| InChIKey | HHMNGYFMAWSUTA-MDZDMXLPSA-N |
| Mol Weight | 322.36 g/mol |
| Molecular Formula | C17H22O6 |
| Exact Mass | 322.141638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H8O3CHO2jny |
|---|---|
| Name | Fumaric acid, 2,6-dimethoxyphenyl 3-methylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.141638422 u |
| Formula | C17H22O6 |
| InChI | InChI=1S/C17H22O6/c1-11(2)12(3)22-15(18)9-10-16(19)23-17-13(20-4)7-6-8-14(17)21-5/h6-12H,1-5H3/b10-9+ |
| InChIKey | HHMNGYFMAWSUTA-MDZDMXLPSA-N |
| Molecular Weight | 322.357 g/mol |
| SMILES | C(\C=C\C(OC(C(C)C)C)=O)(OC1=C(C=CC=C1OC)OC)=O |