![benzenecarbothioamide, N-[4-(dimethylamino)phenyl]-4-methoxy-](/api/spectrum/5VrmE7A4Sq0/structure.png?h=300&w=458 "benzenecarbothioamide, N-[4-(dimethylamino)phenyl]-4-methoxy-")
| SpectraBase Compound ID | 9TfW2ej4Jli |
|---|---|
| InChI | InChI=1S/C16H18N2OS/c1-18(2)14-8-6-13(7-9-14)17-16(20)12-4-10-15(19-3)11-5-12/h4-11H,1-3H3,(H,17,20) |
| InChIKey | SQISFFAOQQQJBG-UHFFFAOYSA-N |
| Mol Weight | 286.39 g/mol |
| Molecular Formula | C16H18N2OS |
| Exact Mass | 286.113984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5VrmE7A4Sq0 |
|---|---|
| Name | Benzenecarbothioamide, N-[4-(dimethylamino)phenyl]-4-methoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.113984381 u |
| Formula | C16H18N2OS |
| InChI | InChI=1S/C16H18N2OS/c1-18(2)14-8-6-13(7-9-14)17-16(20)12-4-10-15(19-3)11-5-12/h4-11H,1-3H3,(H,17,20) |
| InChIKey | SQISFFAOQQQJBG-UHFFFAOYSA-N |
| SMILES | N(C(C1=CC=C(C=C1)OC)=S)C1=CC=C(C=C1)N(C)C |