| SpectraBase Compound ID | IAfwbDQp6h0 |
|---|---|
| InChI | InChI=1S/C20H32O3/c21-20(22)16-12-7-5-3-1-2-4-6-8-13-17-23-18-19-14-10-9-11-15-19/h9-11,14-15H,1-8,12-13,16-18H2,(H,21,22) |
| InChIKey | DTMVHHZSMOCYDC-UHFFFAOYSA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C20H32O3 |
| Exact Mass | 320.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7JTIAbSagf6 |
|---|---|
| Name | Benzyl oxy tridecanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.235144887 u |
| Formula | C20H32O3 |
| InChI | InChI=1S/C20H32O3/c21-20(22)16-12-7-5-3-1-2-4-6-8-13-17-23-18-19-14-10-9-11-15-19/h9-11,14-15H,1-8,12-13,16-18H2,(H,21,22) |
| InChIKey | DTMVHHZSMOCYDC-UHFFFAOYSA-N |
| Molecular Weight | 320.473 g/mol |
| SMILES | C1(COCCCCCCCCCCCCC(O)=O)=CC=CC=C1 |