| SpectraBase Compound ID | CIPsWqmXb8q |
|---|---|
| InChI | InChI=1S/C18H24O6/c1-4-5-6-7-13-23-16(19)11-12-17(20)24-18-14(21-2)9-8-10-15(18)22-3/h8-12H,4-7,13H2,1-3H3/b12-11+ |
| InChIKey | MCRKQLZGNMIHBE-VAWYXSNFSA-N |
| Mol Weight | 336.38 g/mol |
| Molecular Formula | C18H24O6 |
| Exact Mass | 336.157288 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 | 8XZMCDbqf91 |
|---|---|
| Name | Fumaric acid, 2,6-dimethoxyphenyl 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/c1-4-5-6-7-13-23-16(19)11-12-17(20)24-18-14(21-2)9-8-10-15(18)22-3/h8-12H,4-7,13H2,1-3H3/b12-11+ |
| InChIKey | MCRKQLZGNMIHBE-VAWYXSNFSA-N |
| Molecular Weight | 336.384 g/mol |
| SMILES | CCCCCCOC(\C=C\C(OC1=C(C=CC=C1OC)OC)=O)=O |