| SpectraBase Compound ID | INNfkBh7qcc |
|---|---|
| InChI | InChI=1S/C9H16O4/c1-4-5-12-8(10)9(11)13-6-7(2)3/h7H,4-6H2,1-3H3 |
| InChIKey | MHOXAHYKNDYIPR-UHFFFAOYSA-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 | VDFYyYisgB |
|---|---|
| Name | Oxalic acid, isobutyl propyl ester |
| 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/c1-4-5-12-8(10)9(11)13-6-7(2)3/h7H,4-6H2,1-3H3 |
| InChIKey | MHOXAHYKNDYIPR-UHFFFAOYSA-N |
| Molecular Weight | 188.223 g/mol |
| SMILES | C(COC(C(=O)OCC(C)C)=O)C |