| SpectraBase Compound ID | LlvqYg1Jth6 |
|---|---|
| InChI | InChI=1S/C12H20O/c1-8-3-4-10-5-6-11(13)7-12(10)9(8)2/h8-10,12H,3-7H2,1-2H3/t8?,9?,10-,12+/m1/s1 |
| InChIKey | DRCIVSDGBDRYON-PTFDWCFRSA-N |
| Mol Weight | 180.29 g/mol |
| Molecular Formula | C12H20O |
| Exact Mass | 180.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FnAKOimlMQd |
|---|---|
| Name | Trans-8,9-dimethyl-2-decalone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.151415263 u |
| Formula | C12H20O |
| InChI | InChI=1S/C12H20O/c1-8-3-4-10-5-6-11(13)7-12(10)9(8)2/h8-10,12H,3-7H2,1-2H3/t8?,9?,10-,12+/m1/s1 |
| InChIKey | DRCIVSDGBDRYON-PTFDWCFRSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | [C@]12(C(C(C)CC[C@@]2(CCC(C1)=O)[H])C)[H] |