| SpectraBase Compound ID | CrBWA8dWjzx |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-4-5-6-7-8-9-13-23-19(21)17-11-10-12-18(14-17)20(22)24-15-16(2)3/h10-12,14H,2,4-9,13,15H2,1,3H3 |
| InChIKey | RAZRHVLMYSKROS-UHFFFAOYSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 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 | 81cBroMplZ7 |
|---|---|
| Name | Isophthalic acid, 2-methylprop-2-en-1-yl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.198759378 u |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-4-5-6-7-8-9-13-23-19(21)17-11-10-12-18(14-17)20(22)24-15-16(2)3/h10-12,14H,2,4-9,13,15H2,1,3H3 |
| InChIKey | RAZRHVLMYSKROS-UHFFFAOYSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | CCCCCCCCOC(C=1C=C(C(OCC(C)=C)=O)C=CC1)=O |