| SpectraBase Compound ID | 1FlobiZ8BUV |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-4-6-7-8-9-10-11-17-26-22(24)20-12-14-21(15-13-20)23(25)27-18-16-19(3)5-2/h12-15,19H,4-11,16-18H2,1-3H3 |
| InChIKey | IQFHFVBVQBBZCD-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 | TYGhgNKC3T |
|---|---|
| Name | Terephthalic acid, 3-methylpentyl nonyl 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/c1-4-6-7-8-9-10-11-17-26-22(24)20-12-14-21(15-13-20)23(25)27-18-16-19(3)5-2/h12-15,19H,4-11,16-18H2,1-3H3 |
| InChIKey | IQFHFVBVQBBZCD-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCCCCCCC)=O)C(OCCC(CC)C)=O |