| SpectraBase Compound ID | IpE7evpTrwg |
|---|---|
| InChI | InChI=1S/C13H26N2OS/c1-3-15(4-2)10-11-17-13(16)14-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,14,16) |
| InChIKey | UMDBGDHSBQGNCP-UHFFFAOYSA-N |
| Mol Weight | 258.42 g/mol |
| Molecular Formula | C13H26N2OS |
| Exact Mass | 258.176585 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3fhEcUccwFq |
|---|---|
| Name | .beta.-Diethylaminoethyl cyclohexylthiol-carbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.176584638 u |
| Formula | C13H26N2OS |
| InChI | InChI=1S/C13H26N2OS/c1-3-15(4-2)10-11-17-13(16)14-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,14,16) |
| InChIKey | UMDBGDHSBQGNCP-UHFFFAOYSA-N |
| Molecular Weight | 258.424 g/mol |
| SMILES | C(NC1CCCCC1)(=O)SCCN(CC)CC |