| SpectraBase Compound ID | IyyyEj8749v |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-14(2)8-7-11(15)6-4-3-5-10-9-12(14)17-13(10)16/h9,12H,3-8H2,1-2H3/t12-/m0/s1 |
| InChIKey | RILYFCVIIJLJJT-LBPRGKRZSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JtTQXHTP3AT |
|---|---|
| Name | (11S)-10,10-Dimethyl-7-oxocycloundecen-2,11-carbolactone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.141244501 u |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c1-14(2)8-7-11(15)6-4-3-5-10-9-12(14)17-13(10)16/h9,12H,3-8H2,1-2H3/t12-/m0/s1 |
| InChIKey | RILYFCVIIJLJJT-LBPRGKRZSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C1(O[C@@]2(C(CCC(CCCCC1=C2)=O)(C)C)[H])=O |