| SpectraBase Compound ID | FeX9UTUaofn |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-5-6-7-8-9-10-15-24-20(22)18-11-13-19(14-12-18)21(23)25-17(4)16(2)3/h11-14,16-17H,5-10,15H2,1-4H3 |
| InChIKey | VFPYVXBWLWKFHB-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 | KBsKBr3455 |
|---|---|
| Name | Terephthalic acid, 3-methylbut-2-yl 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/c1-5-6-7-8-9-10-15-24-20(22)18-11-13-19(14-12-18)21(23)25-17(4)16(2)3/h11-14,16-17H,5-10,15H2,1-4H3 |
| InChIKey | VFPYVXBWLWKFHB-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OCCCCCCCC)=O)C(OC(C)C(C)C)=O |