| SpectraBase Compound ID | ICdNeCmXfnX |
|---|---|
| InChI | InChI=1S/C12H24O3/c1-8(2)7-15-11(14)12(5,6)10(13)9(3)4/h8-10,13H,7H2,1-6H3 |
| InChIKey | JKGWJYJTOABBAJ-UHFFFAOYSA-N |
| Mol Weight | 216.32 g/mol |
| Molecular Formula | C12H24O3 |
| Exact Mass | 216.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 41T1rBed15y |
|---|---|
| Name | Pentanoic acid, 2,2,4-trimethyl-3-hydroxy-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.172544630 u |
| Formula | C12H24O3 |
| InChI | InChI=1S/C12H24O3/c1-8(2)7-15-11(14)12(5,6)10(13)9(3)4/h8-10,13H,7H2,1-6H3 |
| InChIKey | JKGWJYJTOABBAJ-UHFFFAOYSA-N |
| Molecular Weight | 216.321 g/mol |
| SMILES | CC(C)COC(=O)C(C)(C)C(O)C(C)C |