| SpectraBase Compound ID | EeoNQsZuQTS |
|---|---|
| InChI | InChI=1S/C18H24O6/c1-4-5-6-7-12-23-17(19)10-11-18(20)24-14-8-9-15(21-2)16(13-14)22-3/h8-11,13H,4-7,12H2,1-3H3/b11-10+ |
| InChIKey | IQCCMXKQRJZZHR-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 | 8a0JFGT9U8k |
|---|---|
| Name | Fumaric acid, 3,4-dimethylphenyl hexyl 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/c1-4-5-6-7-12-23-17(19)10-11-18(20)24-14-8-9-15(21-2)16(13-14)22-3/h8-11,13H,4-7,12H2,1-3H3/b11-10+ |
| InChIKey | IQCCMXKQRJZZHR-ZHACJKMWSA-N |
| Molecular Weight | 336.384 g/mol |
| SMILES | COC1=CC(OC(\C=C\C(OCCCCCC)=O)=O)=CC=C1OC |