| SpectraBase Compound ID | Llqc3tpuMAS |
|---|---|
| InChI | InChI=1S/C17H22O6/c1-4-5-6-12-22-15(18)10-11-16(19)23-17-13(20-2)8-7-9-14(17)21-3/h7-11H,4-6,12H2,1-3H3/b11-10+ |
| InChIKey | BCSZQJXONKUDBM-ZHACJKMWSA-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 | AkPaDcsOf7N |
|---|---|
| Name | Fumaric acid, 2,6-dimethoxyphenyl pentyl 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/c1-4-5-6-12-22-15(18)10-11-16(19)23-17-13(20-2)8-7-9-14(17)21-3/h7-11H,4-6,12H2,1-3H3/b11-10+ |
| InChIKey | BCSZQJXONKUDBM-ZHACJKMWSA-N |
| Molecular Weight | 322.357 g/mol |
| SMILES | C1(=C(C=CC=C1OC)OC)OC(\C=C\C(=O)OCCCCC)=O |