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N-(2,4,6-Triphenylphenyl)isothiocyanate
SpectraBase Compound ID JLAdxgiMG74
InChI InChI=1S/C25H17NS/c27-18-26-25-23(20-12-6-2-7-13-20)16-22(19-10-4-1-5-11-19)17-24(25)21-14-8-3-9-15-21/h1-17H
InChIKey AFJYTKBKRWQAEP-UHFFFAOYSA-N
Mol Weight 363.48 g/mol
Molecular Formula C25H17NS
Exact Mass 363.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHSAXQmzg0t
Name N-(2,4,6-Triphenylphenyl)isothiocyanate
Alternate Name(s) 2-isothiocyanato-1,3,5-triphenylbenzene N-(2,4,6-Triphenylphenyl)isocyanate
Comments Less than 3 mono-isotopic peaks
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Formula C25H17NS
InChI InChI=1S/C25H17NS/c27-18-26-25-23(20-12-6-2-7-13-20)16-22(19-10-4-1-5-11-19)17-24(25)21-14-8-3-9-15-21/h1-17H
InChIKey AFJYTKBKRWQAEP-UHFFFAOYSA-N
Molecular Weight 363.478 g/mol
SMILES c1(c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1)N=C=S
SPLASH splash10-03di-0009000000-381c5f4d5cba8c731424
Source of Spectrum SO-0-826-5
Wiley ID 1538269