![1-[(1S)-1,2,2-trimethylcyclopentyl]hexane-1,5-dione](/api/spectrum/AlDguzd2ajn/structure.png?h=300&w=458 "1-[(1S)-1,2,2-trimethylcyclopentyl]hexane-1,5-dione")
| SpectraBase Compound ID | 7o3mTBaZATa |
|---|---|
| InChI | InChI=1S/C14H24O2/c1-11(15)7-5-8-12(16)14(4)10-6-9-13(14,2)3/h5-10H2,1-4H3/t14-/m1/s1 |
| InChIKey | XCERZYSTKVVWRM-CQSZACIVSA-N |
| Mol Weight | 224.34 g/mol |
| Molecular Formula | C14H24O2 |
| Exact Mass | 224.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AlDguzd2ajn |
|---|---|
| Name | 1-[(1S)-1,2,2-Trimethylcyclopentyl]hexane-1,5-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.177630011 u |
| Formula | C14H24O2 |
| InChI | InChI=1S/C14H24O2/c1-11(15)7-5-8-12(16)14(4)10-6-9-13(14,2)3/h5-10H2,1-4H3/t14-/m1/s1 |
| InChIKey | XCERZYSTKVVWRM-CQSZACIVSA-N |
| Molecular Weight | 224.344 g/mol |
| SMILES | [C@@]1(C(CCC1)(C)C)(C(=O)CCCC(=O)C)C |