| SpectraBase Compound ID | 4Ft1AOUgaYH |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-3-5-7-9-10-11-13-19-27-23(25)21-16-14-20(15-17-21)22(24)26-18-12-8-6-4-2/h14-17H,3-13,18-19H2,1-2H3 |
| InChIKey | PXZRTDLDSKKYOB-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 | 81BGkWo5cRD |
|---|---|
| Name | Terephthalic acid, hexyl 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/c1-3-5-7-9-10-11-13-19-27-23(25)21-16-14-20(15-17-21)22(24)26-18-12-8-6-4-2/h14-17H,3-13,18-19H2,1-2H3 |
| InChIKey | PXZRTDLDSKKYOB-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | C(OC(C1=CC=C(C=C1)C(OCCCCCC)=O)=O)CCCCCCCC |