| SpectraBase Compound ID | Ax9wZJpiRxz |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-6-8(4)9(11(13)14-5)15-10(12)7(2)3/h7-9H,6H2,1-5H3/t8-,9+/m0/s1 |
| InChIKey | UOJIFOKVLDCIFY-DTWKUNHWSA-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 | ABptUgvcnnZ |
|---|---|
| Name | Methyl (2rs, 3sr)-2-isobutyryloxy-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/c1-6-8(4)9(11(13)14-5)15-10(12)7(2)3/h7-9H,6H2,1-5H3/t8-,9+/m0/s1 |
| InChIKey | UOJIFOKVLDCIFY-DTWKUNHWSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | CC[C@](C)([C@@](OC(=O)C(C)C)(C(=O)OC)[H])[H] |