| SpectraBase Compound ID | 1Yt45sSnefL |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-29-25(27)23-18-16-17-22(21-23)24(26)28-19-4-2/h16-18,21H,3-15,19-20H2,1-2H3 |
| InChIKey | KZLLFENYNWBZJE-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 | ESuj7W5NpIC |
|---|---|
| Name | Isophthalic acid, propyl tetradecyl 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/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-29-25(27)23-18-16-17-22(21-23)24(26)28-19-4-2/h16-18,21H,3-15,19-20H2,1-2H3 |
| InChIKey | KZLLFENYNWBZJE-UHFFFAOYSA-N |
| Molecular Weight | 404.591 g/mol |
| SMILES | CCCCCCCCCCCCCCOC(C=1C=C(C(OCCC)=O)C=CC1)=O |