| SpectraBase Compound ID | 9wG5JVWYulM |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-3-5-7-9-10-11-12-13-15-21-29-25(27)23-18-16-22(17-19-23)24(26)28-20-14-8-6-4-2/h16-19H,3-15,20-21H2,1-2H3 |
| InChIKey | AGBMYJDISBQMOW-UHFFFAOYSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C25H40O4 |
| Exact Mass | 404.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUwTTvRV891 |
|---|---|
| Name | Terephthalic acid, hexyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.292659764 u |
| Formula | C25H40O4 |
| InChI | InChI=1S/C25H40O4/c1-3-5-7-9-10-11-12-13-15-21-29-25(27)23-18-16-22(17-19-23)24(26)28-20-14-8-6-4-2/h16-19H,3-15,20-21H2,1-2H3 |
| InChIKey | AGBMYJDISBQMOW-UHFFFAOYSA-N |
| Molecular Weight | 404.591 g/mol |
| SMILES | C(CCOC(C1=CC=C(C=C1)C(OCCCCCC)=O)=O)CCCCCCCC |