| SpectraBase Compound ID | KAkitRC0n2I |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-4-17(16-10-6-5-7-11-16)23-19(21)13-12-18(20)22-14-8-9-15(2)3/h5-7,10-13,15,17H,4,8-9,14H2,1-3H3/b13-12+ |
| InChIKey | BNQAJIBLXJXRGT-OUKQBFOZSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 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 | Kf9xUa4ENWv |
|---|---|
| Name | Fumaric acid, isohexyl 1-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.183109313 u |
| Formula | C19H26O4 |
| InChI | InChI=1S/C19H26O4/c1-4-17(16-10-6-5-7-11-16)23-19(21)13-12-18(20)22-14-8-9-15(2)3/h5-7,10-13,15,17H,4,8-9,14H2,1-3H3/b13-12+ |
| InChIKey | BNQAJIBLXJXRGT-OUKQBFOZSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C(\C=C\C(OC(CC)C1=CC=CC=C1)=O)(OCCCC(C)C)=O |