| SpectraBase Compound ID | Jk4SGGEOEqb |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-5-6-7-8-12-22-17(20)15-10-9-11-16(13-15)18(21)23-14-19(2,3)4/h9-11,13H,5-8,12,14H2,1-4H3 |
| InChIKey | GFKIKFPNEUVHLG-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8JDzMqLhWmV |
|---|---|
| Name | Isophthalic acid, hexyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-5-6-7-8-12-22-17(20)15-10-9-11-16(13-15)18(21)23-14-19(2,3)4/h9-11,13H,5-8,12,14H2,1-4H3 |
| InChIKey | GFKIKFPNEUVHLG-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(OCCCCCC)=O)(OCC(C)(C)C)=O |