| SpectraBase Compound ID | 9wZ2ndtpwVm |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-4-5-6-7-12-21-17(19)10-11-18(20)22-16-13-14(2)8-9-15(16)3/h8-11,13H,4-7,12H2,1-3H3/b11-10+ |
| InChIKey | TVOSTJOLFOLHJH-ZHACJKMWSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K7uVbNdNV5q |
|---|---|
| Name | Fumaric acid, 2,5-dimethylphenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c1-4-5-6-7-12-21-17(19)10-11-18(20)22-16-13-14(2)8-9-15(16)3/h8-11,13H,4-7,12H2,1-3H3/b11-10+ |
| InChIKey | TVOSTJOLFOLHJH-ZHACJKMWSA-N |
| SMILES | C(\C=C\C(OC1=C(C=CC(=C1)C)C)=O)(OCCCCCC)=O |