| SpectraBase Compound ID | 2MEp1tl4WI7 |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-5-6-10-16(4)24-20(22)18-12-7-11-17(14-18)19(21)23-13-8-9-15(2)3/h7,11-12,14-16H,5-6,8-10,13H2,1-4H3 |
| InChIKey | CUYLNOPOKBLBIJ-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BwL01pNY0hj |
|---|---|
| Name | Isophthalic acid, hex-2-yl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-5-6-10-16(4)24-20(22)18-12-7-11-17(14-18)19(21)23-13-8-9-15(2)3/h7,11-12,14-16H,5-6,8-10,13H2,1-4H3 |
| InChIKey | CUYLNOPOKBLBIJ-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C1=C(C=CC=C1C(OC(CCCC)C)=O)C(=O)OCCCC(C)C |