| SpectraBase Compound ID | Brm7EZVzmi |
|---|---|
| InChI | InChI=1S/C9H16O4/c1-5-6(2)8(9(11)12-4)13-7(3)10/h6,8H,5H2,1-4H3/t6-,8+/m0/s1 |
| InChIKey | HXUOJWLTELMQFB-POYBYMJQSA-N |
| Mol Weight | 188.22 g/mol |
| Molecular Formula | C9H16O4 |
| Exact Mass | 188.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kyr10PirJt0 |
|---|---|
| Name | Methyl (2rs, 3sr)-2-acetoxy-3-methylpentanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.104858991 u |
| Formula | C9H16O4 |
| InChI | InChI=1S/C9H16O4/c1-5-6(2)8(9(11)12-4)13-7(3)10/h6,8H,5H2,1-4H3/t6-,8+/m0/s1 |
| InChIKey | HXUOJWLTELMQFB-POYBYMJQSA-N |
| Molecular Weight | 188.223 g/mol |
| SMILES | CC[C@](C)([C@](C(OC)=O)(OC(=O)C)[H])[H] |