![(2-{(E)-[(anilinocarbothioyl)hydrazono]methyl}phenoxy)acetonitrile](/api/spectrum/23xjGeCdgNk/structure.png?h=300&w=458 "(2-{(E)-[(anilinocarbothioyl)hydrazono]methyl}phenoxy)acetonitrile")
| SpectraBase Compound ID | 7SQ1QY4xh6G |
|---|---|
| InChI | InChI=1S/C16H14N4OS/c17-10-11-21-15-9-5-4-6-13(15)12-18-20-16(22)19-14-7-2-1-3-8-14/h1-9,12H,11H2,(H2,19,20,22)/b18-12+ |
| InChIKey | LCVUKPMYEDTYOF-LDADJPATSA-N |
| Mol Weight | 310.38 g/mol |
| Molecular Formula | C16H14N4OS |
| Exact Mass | 310.088832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 23xjGeCdgNk |
|---|---|
| Name | (2-{(E)-[(anilinocarbothioyl)hydrazono]methyl}phenoxy)acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.088832260 u |
| Formula | C16H14N4OS |
| InChI | InChI=1S/C16H14N4OS/c17-10-11-21-15-9-5-4-6-13(15)12-18-20-16(22)19-14-7-2-1-3-8-14/h1-9,12H,11H2,(H2,19,20,22)/b18-12+ |
| InChIKey | LCVUKPMYEDTYOF-LDADJPATSA-N |
| SMILES | N(C(=S)N\N=C\C=1C(OCC#N)=CC=CC1)C1=CC=CC=C1 |