| SpectraBase Compound ID | Giuj5ddrlhp |
|---|---|
| InChI | InChI=1S/C22H36O2/c1-4-6-7-8-9-10-11-12-13-17-21(5-2)24-22(23)20-16-14-15-19(3)18-20/h14-16,18,21H,4-13,17H2,1-3H3 |
| InChIKey | YCOLFDPBRJKCRL-UHFFFAOYSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C22H36O2 |
| Exact Mass | 332.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMEq27h8CFn |
|---|---|
| Name | m-Toluic acid, 3-tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.271530397 u |
| Formula | C22H36O2 |
| InChI | InChI=1S/C22H36O2/c1-4-6-7-8-9-10-11-12-13-17-21(5-2)24-22(23)20-16-14-15-19(3)18-20/h14-16,18,21H,4-13,17H2,1-3H3 |
| InChIKey | YCOLFDPBRJKCRL-UHFFFAOYSA-N |
| Molecular Weight | 332.528 g/mol |
| SMILES | C1=C(C=C(C=C1)C(OC(CCCCCCCCCCC)CC)=O)C |