| SpectraBase Compound ID | 6hKsSFlXg5w |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-5-6-7-8-9-10-14-24-19(22)17-12-11-13-18(15-17)20(23)25-16-21(2,3)4/h11-13,15H,5-10,14,16H2,1-4H3 |
| InChIKey | OVHYQGRACRWZEM-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3finieEo9Dk |
|---|---|
| Name | Isophthalic acid, neopentyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-5-6-7-8-9-10-14-24-19(22)17-12-11-13-18(15-17)20(23)25-16-21(2,3)4/h11-13,15H,5-10,14,16H2,1-4H3 |
| InChIKey | OVHYQGRACRWZEM-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(OCCCCCCCC)=O)(OCC(C)(C)C)=O |