| SpectraBase Compound ID | FKDxDAmqEVH |
|---|---|
| InChI | InChI=1S/C12H22O3/c1-7-8(2)10(13)9(3)11(14)15-12(4,5)6/h8,10,13H,3,7H2,1-2,4-6H3 |
| InChIKey | HKDXAJRQUPGTNK-UHFFFAOYSA-N |
| Mol Weight | 214.3 g/mol |
| Molecular Formula | C12H22O3 |
| Exact Mass | 214.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | YtIyrpT5Oa |
|---|---|
| Name | 1,1-Dimethylethyl 3-hydroxy-4-methyl-2-methylenehexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.156894565 u |
| Formula | C12H22O3 |
| InChI | InChI=1S/C12H22O3/c1-7-8(2)10(13)9(3)11(14)15-12(4,5)6/h8,10,13H,3,7H2,1-2,4-6H3 |
| InChIKey | HKDXAJRQUPGTNK-UHFFFAOYSA-N |
| Molecular Weight | 214.305 g/mol |
| SMILES | C(C(OC(C)(C)C)=O)(C(C(CC)C)O)=C |