| SpectraBase Compound ID | EUt3RgdX3G4 |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-4-6-7-8-9-10-14-24-20(22)18-12-11-13-19(15-18)21(23)25-16-17(3)5-2/h11-13,15,17H,4-10,14,16H2,1-3H3 |
| InChIKey | NEBHRYPBZSVUFW-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 | FE1lhAGeW7y |
|---|---|
| Name | Isophthalic acid, 2-methylbutyl 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/c1-4-6-7-8-9-10-14-24-20(22)18-12-11-13-19(15-18)21(23)25-16-17(3)5-2/h11-13,15,17H,4-10,14,16H2,1-3H3 |
| InChIKey | NEBHRYPBZSVUFW-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C(CCCCOC(C=1C=C(C(OCC(CC)C)=O)C=CC1)=O)CCC |