![1-Isopropyl-4-methyl-2-[(methylsulfanyl)methoxy]cyclohexane](/api/spectrum/IUzoQESnucn/structure.png?h=300&w=458 "1-Isopropyl-4-methyl-2-[(methylsulfanyl)methoxy]cyclohexane")
| SpectraBase Compound ID | DdNGBEK8ezE |
|---|---|
| InChI | InChI=1S/C12H24OS/c1-9(2)11-6-5-10(3)7-12(11)13-8-14-4/h9-12H,5-8H2,1-4H3 |
| InChIKey | GXAIJWYSEWCXJM-UHFFFAOYSA-N |
| Mol Weight | 216.38 g/mol |
| Molecular Formula | C12H24OS |
| Exact Mass | 216.154787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IUzoQESnucn |
|---|---|
| Name | 1-Isopropyl-4-methyl-2-[(methylsulfanyl)methoxy]cyclohexane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.154786566 u |
| Formula | C12H24OS |
| InChI | InChI=1S/C12H24OS/c1-9(2)11-6-5-10(3)7-12(11)13-8-14-4/h9-12H,5-8H2,1-4H3 |
| InChIKey | GXAIJWYSEWCXJM-UHFFFAOYSA-N |
| Molecular Weight | 216.383 g/mol |
| SMILES | C1(C(CCC(C1)C)C(C)C)OCSC |