| SpectraBase Compound ID | LVta8CdiVUl |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-3-5-6-7-8-9-10-11-12-13-18-27-23(25)21-16-14-15-20(19-21)22(24)26-17-4-2/h14-16,19H,3-13,17-18H2,1-2H3 |
| InChIKey | BBOXYPHAGCSLTD-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 | 4EYvD8kEnPA |
|---|---|
| Name | Isophthalic acid, dodecyl propyl 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/c1-3-5-6-7-8-9-10-11-12-13-18-27-23(25)21-16-14-15-20(19-21)22(24)26-17-4-2/h14-16,19H,3-13,17-18H2,1-2H3 |
| InChIKey | BBOXYPHAGCSLTD-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | CCCCCCCCCCCCOC(C=1C=C(C(OCCC)=O)C=CC1)=O |