| SpectraBase Compound ID | 2voybC3j1BU |
|---|---|
| InChI | InChI=1S/C9H16O4/c1-6(2)7(9(11)13-4)5-8(10)12-3/h6-7H,5H2,1-4H3/t7-/m0/s1 |
| InChIKey | UTEZYXDWWFOWGJ-ZETCQYMHSA-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 | 3cKyiC8HV2w |
|---|---|
| Name | (S)-(+)-dimethyl 2-isopropylsuccinate |
| 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/c1-6(2)7(9(11)13-4)5-8(10)12-3/h6-7H,5H2,1-4H3/t7-/m0/s1 |
| InChIKey | UTEZYXDWWFOWGJ-ZETCQYMHSA-N |
| Molecular Weight | 188.223 g/mol |
| SMILES | C(=O)(OC)[C@](C(C)C)(CC(=O)OC)[H] |