![[(1rs,2rs)-2-(Hydroxymethyl)cyclohex-1-yl]methyl pivalate](/api/spectrum/78x0ZB3TJyS/structure.png?h=300&w=458 "[(1rs,2rs)-2-(Hydroxymethyl)cyclohex-1-yl]methyl pivalate")
| SpectraBase Compound ID | Ii11o9snYk3 |
|---|---|
| InChI | InChI=1S/C13H24O3/c1-13(2,3)12(15)16-9-11-7-5-4-6-10(11)8-14/h10-11,14H,4-9H2,1-3H3/t10-,11+/m1/s1 |
| InChIKey | QRHFWOVXAPZXDR-MNOVXSKESA-N |
| Mol Weight | 228.33 g/mol |
| Molecular Formula | C13H24O3 |
| Exact Mass | 228.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 78x0ZB3TJyS |
|---|---|
| Name | [(1rs,2rs)-2-(Hydroxymethyl)cyclohex-1-yl]methyl pivalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.172544630 u |
| Formula | C13H24O3 |
| InChI | InChI=1S/C13H24O3/c1-13(2,3)12(15)16-9-11-7-5-4-6-10(11)8-14/h10-11,14H,4-9H2,1-3H3/t10-,11+/m1/s1 |
| InChIKey | QRHFWOVXAPZXDR-MNOVXSKESA-N |
| Molecular Weight | 228.332 g/mol |
| SMILES | C(C(C)(C)C)(OC[C@]1([C@@](CO)(CCCC1)[H])[H])=O |