3-[(2-{[(3,5-Dichloro-2-hydroxyphenyl)methylene]amino}phenyl)sulfanyl]propanenitrile
7130
Reference
3-[(2-{[(3,5-Dichloro-2-hydroxyphenyl)methylene]amino}phenyl)sulfanyl]propanenitrile Structure
Systematic / IUPAC Name: 3-({2-[(E)-(3,5-Dichloro-2-hydroxybenzylidene)amino]phenyl}sulfanyl)propanenitrile
ID: Reference7130
Other Names: Propanenitrile, 3-[(2-{[(1E)-(3,5-dichloro-2-hydroxyphenyl)methylene]amino}phenyl)thio]-
Formula: C16H12Cl2N2OS
Spectral Data
3-[(2-{[(3,5-Dichloro-2-hydroxyphenyl)methylene]amino}phenyl)sulfanyl]propanenitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 238 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/5/2017 9:59:25 AM |
Identificators
| InChI | InChI=1S/C16H12Cl2N2OS/c17-12-8-11(16(21)13(18)9-12)10-20-14-4-1-2-5-15(14)22-7-3-6-19/h1-2,4-5,8-10,21H,3,7H2/b20-10+ |
| InChI Key | KZIBTFIUWMJCQS-KEBDBYFISA-N |
| Canonical SMILES | c1ccc(c(c1)/N=C/c2cc(cc(c2O)Cl)Cl)SCCC#N |
| CAS | |
| Splash | |
| Other Names | Propanenitrile, 3-[(2-{[(1E)-(3,5-dichloro-2-hydroxyphenyl)methylene]amino}phenyl)thio]- |
In Other Databases
| ChemSpider | 17921953 |