| SpectraBase Compound ID | IkCgHVUAHN3 |
|---|---|
| InChI | InChI=1S/C9H18O3/c1-6(2)12-8(11)7(10)9(3,4)5/h6-7,10H,1-5H3/t7-/m1/s1 |
| InChIKey | KNHLYAIFWMVHCU-SSDOTTSWSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C9H18O3 |
| Exact Mass | 174.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FLOp6C8ultX |
|---|---|
| Name | (S)-iso-Propyl-2-hydroxy-3,3-dimethylbutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.125594437 u |
| Formula | C9H18O3 |
| InChI | InChI=1S/C9H18O3/c1-6(2)12-8(11)7(10)9(3,4)5/h6-7,10H,1-5H3/t7-/m1/s1 |
| InChIKey | KNHLYAIFWMVHCU-SSDOTTSWSA-N |
| Molecular Weight | 174.240 g/mol |
| SMILES | C(C)([C@](O)(C(OC(C)C)=O)[H])(C)C |