| SpectraBase Compound ID | 7oI1cIhb74e |
|---|---|
| InChI | InChI=1S/C12H22O4/c1-6-15-10(13)7-11(14)16-12(8(2)3)9(4)5/h8-9,12H,6-7H2,1-5H3 |
| InChIKey | ANRPBMPCJBBSHU-UHFFFAOYSA-N |
| Mol Weight | 230.3 g/mol |
| Molecular Formula | C12H22O4 |
| Exact Mass | 230.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LL9z0KbDDj0 |
|---|---|
| Name | Malonic acid, 2,4-dimethylpent-3-yl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.151809184 u |
| Formula | C12H22O4 |
| InChI | InChI=1S/C12H22O4/c1-6-15-10(13)7-11(14)16-12(8(2)3)9(4)5/h8-9,12H,6-7H2,1-5H3 |
| InChIKey | ANRPBMPCJBBSHU-UHFFFAOYSA-N |
| Molecular Weight | 230.304 g/mol |
| SMILES | C(C(OC(C(C)C)C(C)C)=O)C(OCC)=O |