| SpectraBase Compound ID | SgAqhgnmAt |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-13(2)6-5-11-21-17(19)9-10-18(20)22-16-12-14(3)7-8-15(16)4/h7-8,12-13H,5-6,9-11H2,1-4H3 |
| InChIKey | BYLLAUWHBWWWGP-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 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 | DgcCex8OZGC |
|---|---|
| Name | Succinic acid, 2,5-dimethylphenyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-13(2)6-5-11-21-17(19)9-10-18(20)22-16-12-14(3)7-8-15(16)4/h7-8,12-13H,5-6,9-11H2,1-4H3 |
| InChIKey | BYLLAUWHBWWWGP-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(OC1=C(C=CC(=C1)C)C)(CCC(OCCCC(C)C)=O)=O |