| SpectraBase Compound ID | A0MsQJjDbT8 |
|---|---|
| InChI | InChI=1S/C13H26O3/c1-5-8-11(14)10(4)12(7-3)16-13(15)9-6-2/h10-12,14H,5-9H2,1-4H3/t10-,11-,12-/m1/s1 |
| InChIKey | VKVOWUKERGKPTA-IJLUTSLNSA-N |
| Mol Weight | 230.35 g/mol |
| Molecular Formula | C13H26O3 |
| Exact Mass | 230.188195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1LEG3segPQg |
|---|---|
| Name | (1sr,2sr,3sr)-1-Ethyl-3-hydroxy-2-methylhexyl butanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.188194694 u |
| Formula | C13H26O3 |
| InChI | InChI=1S/C13H26O3/c1-5-8-11(14)10(4)12(7-3)16-13(15)9-6-2/h10-12,14H,5-9H2,1-4H3/t10-,11-,12-/m1/s1 |
| InChIKey | VKVOWUKERGKPTA-IJLUTSLNSA-N |
| Molecular Weight | 230.348 g/mol |
| SMILES | [C@]([C@@]([C@](O)(CCC)[H])(C)[H])(OC(=O)CCC)(CC)[H] |