| SpectraBase Compound ID | 8u7xk6C2ytD |
|---|---|
| InChI | InChI=1S/C24H38O4/c1-4-6-7-8-9-10-11-12-17-27-23(25)21-14-13-15-22(19-21)24(26)28-18-16-20(3)5-2/h13-15,19-20H,4-12,16-18H2,1-3H3 |
| InChIKey | MGPOTWATEQYRID-UHFFFAOYSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C24H38O4 |
| Exact Mass | 390.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F8lSSYXiLsZ |
|---|---|
| Name | Isophthalic acid, decyl 3-methylpentyl 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/c1-4-6-7-8-9-10-11-12-17-27-23(25)21-14-13-15-22(19-21)24(26)28-18-16-20(3)5-2/h13-15,19-20H,4-12,16-18H2,1-3H3 |
| InChIKey | MGPOTWATEQYRID-UHFFFAOYSA-N |
| Molecular Weight | 390.564 g/mol |
| SMILES | C1=C(C=CC=C1C(OCCC(CC)C)=O)C(=O)OCCCCCCCCCC |