| SpectraBase Compound ID | 7qCD0gJCzlv |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-13(2)6-5-11-21-17(19)9-10-18(20)22-16-8-7-14(3)15(4)12-16/h7-10,12-13H,5-6,11H2,1-4H3/b10-9+ |
| InChIKey | CRFSTZHELHYZAE-MDZDMXLPSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8uMEaYB1YV0 |
|---|---|
| Name | Fumaric acid, 3,4-dimethylphenyl isohexyl 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/c1-13(2)6-5-11-21-17(19)9-10-18(20)22-16-8-7-14(3)15(4)12-16/h7-10,12-13H,5-6,11H2,1-4H3/b10-9+ |
| InChIKey | CRFSTZHELHYZAE-MDZDMXLPSA-N |
| SMILES | CC(C)CCCOC(\C=C\C(OC1=CC=C(C(=C1)C)C)=O)=O |