| SpectraBase Compound ID | E5OBP2LnRup |
|---|---|
| InChI | InChI=1S/C17H26O3/c1-3-7-16(18)9-6-4-5-8-14-10-12-15(13-11-14)17(19)20-2/h10-13,16,18H,3-9H2,1-2H3 |
| InChIKey | CTOCOKAYPNSPTQ-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 | 8knKf0YC8Pq |
|---|---|
| Name | Methyl 4-(6-hydroxy-nonyl)-benzoate |
| 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/c1-3-7-16(18)9-6-4-5-8-14-10-12-15(13-11-14)17(19)20-2/h10-13,16,18H,3-9H2,1-2H3 |
| InChIKey | CTOCOKAYPNSPTQ-UHFFFAOYSA-N |
| Molecular Weight | 278.392 g/mol |
| SMILES | C(C1=CC=C(C=C1)CCCCCC(CCC)O)(OC)=O |