| SpectraBase Compound ID | Jybvti2Tcyu |
|---|---|
| InChI | InChI=1S/C24H38O4/c1-4-6-8-9-10-11-12-13-18-27-23(25)21-16-14-17-22(19-21)24(26)28-20(3)15-7-5-2/h14,16-17,19-20H,4-13,15,18H2,1-3H3 |
| InChIKey | NXPUQYIJUZQXBN-UHFFFAOYSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C24H38O4 |
| Exact Mass | 390.27701 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 | Jx1g13vjOFE |
|---|---|
| Name | Isophthalic acid, decyl hex-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.277009700 u |
| Formula | C24H38O4 |
| InChI | InChI=1S/C24H38O4/c1-4-6-8-9-10-11-12-13-18-27-23(25)21-16-14-17-22(19-21)24(26)28-20(3)15-7-5-2/h14,16-17,19-20H,4-13,15,18H2,1-3H3 |
| InChIKey | NXPUQYIJUZQXBN-UHFFFAOYSA-N |
| Molecular Weight | 390.564 g/mol |
| SMILES | C1=C(C=CC=C1C(OC(CCCC)C)=O)C(=O)OCCCCCCCCCC |