| SpectraBase Compound ID | Ivx6KfmHdOC |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-4-5-12-21-17(19)15-8-10-16(11-9-15)18(20)22-13-6-7-14(2)3/h4,8-11,14H,1,5-7,12-13H2,2-3H3 |
| InChIKey | OSVOEMIYDBWRKS-UHFFFAOYSA-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 | 4E9IrVsLZG |
|---|---|
| Name | Terephthalic acid, but-3-enyl 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/c1-4-5-12-21-17(19)15-8-10-16(11-9-15)18(20)22-13-6-7-14(2)3/h4,8-11,14H,1,5-7,12-13H2,2-3H3 |
| InChIKey | OSVOEMIYDBWRKS-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)C(OCCCC(C)C)=O)C(OCCC=C)=O |