| SpectraBase Compound ID | 6BYVfUULh23 |
|---|---|
| InChI | InChI=1S/C12H24O3/c1-10(11(2)9-13)6-8-15-12-5-3-4-7-14-12/h10-13H,3-9H2,1-2H3/t10-,11+,12?/m0/s1 |
| InChIKey | CCROVMKWOJEYQX-WIKAKEFZSA-N |
| Mol Weight | 216.32 g/mol |
| Molecular Formula | C12H24O3 |
| Exact Mass | 216.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1FsLKMRxR98 |
|---|---|
| Name | (2S,3S)-2,3-Dimethyl-5-(tetrahydropyran-2-yloxy)-1-pentanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.172544630 u |
| Formula | C12H24O3 |
| InChI | InChI=1S/C12H24O3/c1-10(11(2)9-13)6-8-15-12-5-3-4-7-14-12/h10-13H,3-9H2,1-2H3/t10-,11+,12?/m0/s1 |
| InChIKey | CCROVMKWOJEYQX-WIKAKEFZSA-N |
| Molecular Weight | 216.321 g/mol |
| SMILES | C1(OCCCC1)OCC[C@@]([C@@](CO)(C)[H])(C)[H] |