| SpectraBase Compound ID | AgZQuqCJOBY |
|---|---|
| InChI | InChI=1S/C12H24O2/c1-9(2)14-11(13)7-10(3)8-12(4,5)6/h9-10H,7-8H2,1-6H3 |
| InChIKey | DPRDCWLARMPWSR-UHFFFAOYSA-N |
| Mol Weight | 200.32 g/mol |
| Molecular Formula | C12H24O2 |
| Exact Mass | 200.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IphiHm7QH9t |
|---|---|
| Name | Hexanoic acid, 3,5,5-trimethyl-, isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.177630011 u |
| Formula | C12H24O2 |
| InChI | InChI=1S/C12H24O2/c1-9(2)14-11(13)7-10(3)8-12(4,5)6/h9-10H,7-8H2,1-6H3 |
| InChIKey | DPRDCWLARMPWSR-UHFFFAOYSA-N |
| Molecular Weight | 200.322 g/mol |
| SMILES | C(CC(OC(C)C)=O)(CC(C)(C)C)C |