| SpectraBase Compound ID | Fmts6jMORoi |
|---|---|
| InChI | InChI=1S/C11H22O4/c1-5-8(12)6-9(13)7-10(14)15-11(2,3)4/h8-9,12-13H,5-7H2,1-4H3/t8-,9+/m1/s1 |
| InChIKey | CQLYKHFDMRALRK-BDAKNGLRSA-N |
| Mol Weight | 218.29 g/mol |
| Molecular Formula | C11H22O4 |
| Exact Mass | 218.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hl8wPLDCu5Z |
|---|---|
| Name | Tert-butyl (+)-(3S,5R)-3,5-dihydroxyheptanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.151809184 u |
| Formula | C11H22O4 |
| InChI | InChI=1S/C11H22O4/c1-5-8(12)6-9(13)7-10(14)15-11(2,3)4/h8-9,12-13H,5-7H2,1-4H3/t8-,9+/m1/s1 |
| InChIKey | CQLYKHFDMRALRK-BDAKNGLRSA-N |
| Molecular Weight | 218.293 g/mol |
| SMILES | C(C)[C@](C[C@](O)(CC(OC(C)(C)C)=O)[H])(O)[H] |