| SpectraBase Compound ID | HhOyJ1jRNQz |
|---|---|
| InChI | InChI=1S/C11H22O3/c1-4-6-7-8-14-11(13)9(3)10(12)5-2/h9-10,12H,4-8H2,1-3H3/t9-,10-/m0/s1 |
| InChIKey | CKVSWUYNCZPQFX-UWVGGRQHSA-N |
| Mol Weight | 202.29 g/mol |
| Molecular Formula | C11H22O3 |
| Exact Mass | 202.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Q7YqtfWIoZ |
|---|---|
| Name | Anti-(2S,3S)-3-hydroxy-2-methylvaleric acid pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.156894565 u |
| Formula | C11H22O3 |
| InChI | InChI=1S/C11H22O3/c1-4-6-7-8-14-11(13)9(3)10(12)5-2/h9-10,12H,4-8H2,1-3H3/t9-,10-/m0/s1 |
| InChIKey | CKVSWUYNCZPQFX-UWVGGRQHSA-N |
| Molecular Weight | 202.294 g/mol |
| SMILES | C([C@@]([C@@](C(=O)OCCCCC)(C)[H])(O)[H])C |