![2.beta.-(3'-Oxobutyl)-1.alpha.,3,3-trimethyl-7-oxabicyclo[2.2.1]heptane](/api/spectrum/KvbjpfGVGNU/structure.png?h=300&w=458 "2.beta.-(3'-Oxobutyl)-1.alpha.,3,3-trimethyl-7-oxabicyclo[2.2.1]heptane")
| SpectraBase Compound ID | LZSw3MmAt9Z |
|---|---|
| InChI | InChI=1S/C13H22O2/c1-9(14)5-6-10-12(2,3)11-7-8-13(10,4)15-11/h10-11H,5-8H2,1-4H3/t10-,11?,13-/m0/s1 |
| InChIKey | IUKBRMZZZBKPPW-BJEKPXQXSA-N |
| Mol Weight | 210.32 g/mol |
| Molecular Formula | C13H22O2 |
| Exact Mass | 210.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KvbjpfGVGNU |
|---|---|
| Name | 2.beta.-(3'-Oxobutyl)-1.alpha.,3,3-trimethyl-7-oxabicyclo[2.2.1]heptane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.161979946 u |
| Formula | C13H22O2 |
| InChI | InChI=1S/C13H22O2/c1-9(14)5-6-10-12(2,3)11-7-8-13(10,4)15-11/h10-11H,5-8H2,1-4H3/t10-,11?,13-/m0/s1 |
| InChIKey | IUKBRMZZZBKPPW-BJEKPXQXSA-N |
| Molecular Weight | 210.317 g/mol |
| SMILES | [C@]12(OC(CC2)C([C@@]1(CCC(=O)C)[H])(C)C)C |