| SpectraBase Compound ID | 1rVucDN44Fs |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-6-8-9-14-23-19(21)17-12-10-13-18(15-17)20(22)24-16(3)11-7-5-2/h10,12-13,15-16H,4-9,11,14H2,1-3H3 |
| InChIKey | CKKFNEJBUHJVCK-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 | FwLitNoMy3h |
|---|---|
| Name | Isophthalic acid, hexyl hex-2-yl 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/c1-4-6-8-9-14-23-19(21)17-12-10-13-18(15-17)20(22)24-16(3)11-7-5-2/h10,12-13,15-16H,4-9,11,14H2,1-3H3 |
| InChIKey | CKKFNEJBUHJVCK-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C1=C(C=CC=C1C(OC(CCCC)C)=O)C(=O)OCCCCCC |