| SpectraBase Compound ID | DxplIAjh4MH |
|---|---|
| InChI | InChI=1S/C15H23N3S/c1-11-6-4-7-12(2)14(11)17-15(19)16-13-8-5-9-18(3)10-13/h4,6-7,13H,5,8-10H2,1-3H3,(H2,16,17,19)/t13-/m0/s1 |
| InChIKey | IWGMWZGQPTWFEJ-ZDUSSCGKSA-N |
| Mol Weight | 277.43 g/mol |
| Molecular Formula | C15H23N3S |
| Exact Mass | 277.161269 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 22Rp1e7w6WQ |
|---|---|
| Name | (S)-1-(2,6-Dimethylphenyl)-3-(1-methylpiperidine-3-yl)thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.161268927 u |
| Formula | C15H23N3S |
| InChI | InChI=1S/C15H23N3S/c1-11-6-4-7-12(2)14(11)17-15(19)16-13-8-5-9-18(3)10-13/h4,6-7,13H,5,8-10H2,1-3H3,(H2,16,17,19)/t13-/m0/s1 |
| InChIKey | IWGMWZGQPTWFEJ-ZDUSSCGKSA-N |
| SMILES | C=1(C=CC=C(C1NC(N[C@@]1(CN(CCC1)C)[H])=S)C)C |