| SpectraBase Compound ID | AiBbHx6Grjl |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-5-6-7-8-9-10-17-26-22(24)20-13-15-21(16-14-20)23(25)27-19(4)12-11-18(2)3/h13-16,18-19H,5-12,17H2,1-4H3 |
| InChIKey | FQWGJAZKBJWPHK-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C23H36O4 |
| Exact Mass | 376.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5vDxoqiwKAp |
|---|---|
| Name | Terephthalic acid, 5-methylhex-2-yl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.261359635 u |
| Formula | C23H36O4 |
| InChI | InChI=1S/C23H36O4/c1-5-6-7-8-9-10-17-26-22(24)20-13-15-21(16-14-20)23(25)27-19(4)12-11-18(2)3/h13-16,18-19H,5-12,17H2,1-4H3 |
| InChIKey | FQWGJAZKBJWPHK-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | C1=CC(=CC=C1C(OC(CCC(C)C)C)=O)C(OCCCCCCCC)=O |