| SpectraBase Compound ID | 1hwvAS1IAu4 |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-12(2)10-20-15(18)13-7-6-8-14(9-13)16(19)21-11-17(3,4)5/h6-9,12H,10-11H2,1-5H3 |
| InChIKey | BDHFEBLVTOXLIJ-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6rjpJnaJeqh |
|---|---|
| Name | Isophthalic acid, isobutyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-12(2)10-20-15(18)13-7-6-8-14(9-13)16(19)21-11-17(3,4)5/h6-9,12H,10-11H2,1-5H3 |
| InChIKey | BDHFEBLVTOXLIJ-UHFFFAOYSA-N |
| SMILES | C(C1=CC(=CC=C1)C(OCC(C)C)=O)(OCC(C)(C)C)=O |