| SpectraBase Compound ID | Kwq6QgvUKv5 |
|---|---|
| InChI | InChI=1S/C17H26O3/c1-3-5-7-13-19-16-11-9-15(10-12-16)17(18)20-14-8-6-4-2/h9-12H,3-8,13-14H2,1-2H3 |
| InChIKey | LINWQIFFERKCKA-UHFFFAOYSA-N |
| Mol Weight | 278.39 g/mol |
| Molecular Formula | C17H26O3 |
| Exact Mass | 278.188195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KpgOm6r0f08 |
|---|---|
| Name | Benzoic acid, 4-pentyloxy-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.188194694 u |
| Formula | C17H26O3 |
| InChI | InChI=1S/C17H26O3/c1-3-5-7-13-19-16-11-9-15(10-12-16)17(18)20-14-8-6-4-2/h9-12H,3-8,13-14H2,1-2H3 |
| InChIKey | LINWQIFFERKCKA-UHFFFAOYSA-N |
| Molecular Weight | 278.392 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCCC)=O)OCCCCC |