| SpectraBase Compound ID | 51d3MWF83q2 |
|---|---|
| InChI | InChI=1S/C9H18O3/c1-7(10)5-6-8(11)12-9(2,3)4/h7,10H,5-6H2,1-4H3 |
| InChIKey | KAGXVXAPPYOJEJ-UHFFFAOYSA-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 | D25X5vspspD |
|---|---|
| Name | Tert-butyl 4-hydroxypentanoate |
| 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/c1-7(10)5-6-8(11)12-9(2,3)4/h7,10H,5-6H2,1-4H3 |
| InChIKey | KAGXVXAPPYOJEJ-UHFFFAOYSA-N |
| Molecular Weight | 174.240 g/mol |
| SMILES | C(OC(C)(C)C)(=O)CCC(O)C |