| SpectraBase Compound ID | KdQnlDaqXW9 |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-6-5-7(9(2,3)4)11-8(6)10/h7H,1,5H2,2-4H3 |
| InChIKey | KDOKCENWFIQFML-UHFFFAOYSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | tZQS01wr2x |
|---|---|
| Name | 5-Tert-butyl-3-methylene-2-oxolanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c1-6-5-7(9(2,3)4)11-8(6)10/h7H,1,5H2,2-4H3 |
| InChIKey | KDOKCENWFIQFML-UHFFFAOYSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | C1(OC(C(C)(C)C)CC1=C)=O |