| SpectraBase Compound ID | 7hURiNspTsx |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-14(2)9-8-12-23-18(21)16-10-7-11-17(13-16)19(22)24-15(3)20(4,5)6/h7,10-11,13-15H,8-9,12H2,1-6H3 |
| InChIKey | BDAFMVYHSRDAQF-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 | 4l7NFmHkIaN |
|---|---|
| Name | Isophthalic acid, 3,3-dimethylbut-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/c1-14(2)9-8-12-23-18(21)16-10-7-11-17(13-16)19(22)24-15(3)20(4,5)6/h7,10-11,13-15H,8-9,12H2,1-6H3 |
| InChIKey | BDAFMVYHSRDAQF-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C1(=CC=CC(=C1)C(OC(C(C)(C)C)C)=O)C(=O)OCCCC(C)C |