| SpectraBase Compound ID | 9cM217nYN6 |
|---|---|
| InChI | InChI=1S/C9H16O4/c1-3-4-5-6(2)7(8(10)11)9(12)13/h6-7H,3-5H2,1-2H3,(H,10,11)(H,12,13) |
| InChIKey | IBZDAYGDBSLLGC-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 | Af6pgiCHPxb |
|---|---|
| Name | 2-(1-Methylpentyl)malonic acid |
| 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/c1-3-4-5-6(2)7(8(10)11)9(12)13/h6-7H,3-5H2,1-2H3,(H,10,11)(H,12,13) |
| InChIKey | IBZDAYGDBSLLGC-UHFFFAOYSA-N |
| Molecular Weight | 188.223 g/mol |
| SMILES | C(C(=O)O)(C(=O)O)C(CCCC)C |