| SpectraBase Compound ID | B0C2tolY3ol |
|---|---|
| InChI | InChI=1S/C17H20N2OS/c1-13(12-14-6-4-3-5-7-14)18-17(21)19-15-8-10-16(20-2)11-9-15/h3-11,13H,12H2,1-2H3,(H2,18,19,21) |
| InChIKey | WQTLWWIBBAFLLP-UHFFFAOYSA-N |
| Mol Weight | 300.42 g/mol |
| Molecular Formula | C17H20N2OS |
| Exact Mass | 300.129634 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2JK4VtsQwdN |
|---|---|
| Name | 1-(p-Methoxyphenyl)-3-(alpha-methylphenethyl)-2-thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.129634445 u |
| Formula | C17H20N2OS |
| InChI | InChI=1S/C17H20N2OS/c1-13(12-14-6-4-3-5-7-14)18-17(21)19-15-8-10-16(20-2)11-9-15/h3-11,13H,12H2,1-2H3,(H2,18,19,21) |
| InChIKey | WQTLWWIBBAFLLP-UHFFFAOYSA-N |
| SMILES | N(C(CC1=CC=CC=C1)C)C(NC=1C=CC(=CC1)OC)=S |