| SpectraBase Compound ID | E8KP68fs0Zn |
|---|---|
| InChI | InChI=1S/C24H38O4/c1-4-6-8-10-11-12-15-20(3)28-24(26)22-17-14-16-21(19-22)23(25)27-18-13-9-7-5-2/h14,16-17,19-20H,4-13,15,18H2,1-3H3 |
| InChIKey | IIASWTWQOFGBCS-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 | 16Ax886UVDe |
|---|---|
| Name | Isophthalic acid, dec-2-yl hexyl 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/c1-4-6-8-10-11-12-15-20(3)28-24(26)22-17-14-16-21(19-22)23(25)27-18-13-9-7-5-2/h14,16-17,19-20H,4-13,15,18H2,1-3H3 |
| InChIKey | IIASWTWQOFGBCS-UHFFFAOYSA-N |
| Molecular Weight | 390.564 g/mol |
| SMILES | C1=C(C=CC=C1C(OC(C)CCCCCCCC)=O)C(=O)OCCCCCC |