| SpectraBase Compound ID | IvFp3nJLLZd |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-5-6-10-20-15(18)13-8-7-9-14(11-13)16(19)21-12-17(2,3)4/h7-9,11H,5-6,10,12H2,1-4H3 |
| InChIKey | ZMZPTTXSDXYBPT-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 | ALhxr67dTQd |
|---|---|
| Name | Isophthalic acid, butyl 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/c1-5-6-10-20-15(18)13-8-7-9-14(11-13)16(19)21-12-17(2,3)4/h7-9,11H,5-6,10,12H2,1-4H3 |
| InChIKey | ZMZPTTXSDXYBPT-UHFFFAOYSA-N |
| SMILES | C(C1=CC(=CC=C1)C(OCCCC)=O)(OCC(C)(C)C)=O |