| SpectraBase Compound ID | 8T2egfVPprh |
|---|---|
| InChI | InChI=1S/C20H32O4/c1-4-6-8-10-12-23-18-14-17(20(21)22-3)15-19(16-18)24-13-11-9-7-5-2/h14-16H,4-13H2,1-3H3 |
| InChIKey | XLXLXRKUZGEYKU-UHFFFAOYSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C20H32O4 |
| Exact Mass | 336.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AuRXKfLltZP |
|---|---|
| Name | Methyl 3,5-bis(hexyloxy)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.230059506 u |
| Formula | C20H32O4 |
| InChI | InChI=1S/C20H32O4/c1-4-6-8-10-12-23-18-14-17(20(21)22-3)15-19(16-18)24-13-11-9-7-5-2/h14-16H,4-13H2,1-3H3 |
| InChIKey | XLXLXRKUZGEYKU-UHFFFAOYSA-N |
| Molecular Weight | 336.472 g/mol |
| SMILES | C=1(C(=O)OC)C=C(OCCCCCC)C=C(C1)OCCCCCC |