| SpectraBase Compound ID | 2PoX2smU3e1 |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-3-4-5-6-7-10-9(2)8-11(12)13-10/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1 |
| InChIKey | XNRLAEXLQFIKEY-UWVGGRQHSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C11H20O2 |
| Exact Mass | 184.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G70SqCeg4yN |
|---|---|
| Name | (4S,5S)-5-Hexyl-4-methyl-2-oxolanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.146329882 u |
| Formula | C11H20O2 |
| InChI | InChI=1S/C11H20O2/c1-3-4-5-6-7-10-9(2)8-11(12)13-10/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1 |
| InChIKey | XNRLAEXLQFIKEY-UWVGGRQHSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | C1(O[C@]([C@](C1)(C)[H])(CCCCCC)[H])=O |