| SpectraBase Compound ID | JtwDcvKfwiV |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-13(19(3,4)5)23-17(21)15-10-9-11-16(12-15)18(22)24-14(2)20(6,7)8/h9-14H,1-8H3 |
| InChIKey | NCIPBKKHYNJWNP-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 | 1VSNUhB19pn |
|---|---|
| Name | Isophthalic acid, di(3,3-dimethylbut-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/c1-13(19(3,4)5)23-17(21)15-10-9-11-16(12-15)18(22)24-14(2)20(6,7)8/h9-14H,1-8H3 |
| InChIKey | NCIPBKKHYNJWNP-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C1(=CC=CC(=C1)C(OC(C(C)(C)C)C)=O)C(=O)OC(C(C)(C)C)C |