| SpectraBase Compound ID | Kn4TnEAgXtc |
|---|---|
| InChI | InChI=1S/C17H26O3/c1-17(2,3)16(19)20-13-9-5-8-12-15(18)14-10-6-4-7-11-14/h4,6-7,10-11,15,18H,5,8-9,12-13H2,1-3H3/t15-/m0/s1 |
| InChIKey | TUWBXSQHIQTMBN-HNNXBMFYSA-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 | 2sSPbva4DVa |
|---|---|
| Name | (S)-6-Hydroxy-6-phenylhexyl pivalate |
| 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/c1-17(2,3)16(19)20-13-9-5-8-12-15(18)14-10-6-4-7-11-14/h4,6-7,10-11,15,18H,5,8-9,12-13H2,1-3H3/t15-/m0/s1 |
| InChIKey | TUWBXSQHIQTMBN-HNNXBMFYSA-N |
| Molecular Weight | 278.392 g/mol |
| SMILES | C(C(C)(C)C)(=O)OCCCCC[C@@](C1=CC=CC=C1)(O)[H] |