| SpectraBase Compound ID | 3Uz9CKBtSgJ |
|---|---|
| InChI | InChI=1S/C18H24O6/c1-13(2)7-6-12-23-16(19)10-11-17(20)24-18-14(21-3)8-5-9-15(18)22-4/h5,8-11,13H,6-7,12H2,1-4H3/b11-10+ |
| InChIKey | GCNLKEYCVCTQQR-ZHACJKMWSA-N |
| Mol Weight | 336.38 g/mol |
| Molecular Formula | C18H24O6 |
| Exact Mass | 336.157288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5iSqzKF0IPW |
|---|---|
| Name | Fumaric acid, 2,6-dimethoxyphenyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.157288487 u |
| Formula | C18H24O6 |
| InChI | InChI=1S/C18H24O6/c1-13(2)7-6-12-23-16(19)10-11-17(20)24-18-14(21-3)8-5-9-15(18)22-4/h5,8-11,13H,6-7,12H2,1-4H3/b11-10+ |
| InChIKey | GCNLKEYCVCTQQR-ZHACJKMWSA-N |
| Molecular Weight | 336.384 g/mol |
| SMILES | C1(=C(C=CC=C1OC)OC)OC(\C=C\C(OCCCC(C)C)=O)=O |