| SpectraBase Compound ID | 9ovJGuSOhqh |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-5-7-9(12)15-10(8(3)6-2)11(13)14-4/h8,10H,5-7H2,1-4H3/t8-,10+/m0/s1 |
| InChIKey | WKHSDQKALLZGBL-WCBMZHEXSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C11H20O4 |
| Exact Mass | 216.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D2fpFXglPpR |
|---|---|
| Name | Methyl (2rs, 3sr)-2-butanoyloxy-3-methylpentanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.136159120 u |
| Formula | C11H20O4 |
| InChI | InChI=1S/C11H20O4/c1-5-7-9(12)15-10(8(3)6-2)11(13)14-4/h8,10H,5-7H2,1-4H3/t8-,10+/m0/s1 |
| InChIKey | WKHSDQKALLZGBL-WCBMZHEXSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | CC[C@](C)([C@@](OC(=O)CCC)(C(=O)OC)[H])[H] |