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N-{3-(Phenylthio)-[1,1'-biphenyl]-2-yl}pyrimidin-2-amine
SpectraBase Compound ID IsR4wx7WBWV
InChI InChI=1S/C22H17N3S/c1-3-9-17(10-4-1)19-13-7-14-20(26-18-11-5-2-6-12-18)21(19)25-22-23-15-8-16-24-22/h1-16H,(H,23,24,25)
InChIKey PJIPHXVBBJTTBN-UHFFFAOYSA-N
Mol Weight 355.46 g/mol
Molecular Formula C22H17N3S
Exact Mass 355.114319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2eJBvIzDWza
Name N-{3-(Phenylthio)-[1,1'-biphenyl]-2-yl}pyrimidin-2-amine
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.114318733 u
Formula C22H17N3S
InChI InChI=1S/C22H17N3S/c1-3-9-17(10-4-1)19-13-7-14-20(26-18-11-5-2-6-12-18)21(19)25-22-23-15-8-16-24-22/h1-16H,(H,23,24,25)
InChIKey PJIPHXVBBJTTBN-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201603092
Molecular Weight 355.459 g/mol
Quality 113
Reported Formula C22H17N3S
SMILES N(C=1C(SC2=CC=CC=C2)=CC=CC1C1=CC=CC=C1)C1=NC=CC=N1
SPLASH splash10-0002-0090000000-cd4956423670c1867fed
Source of Spectrum QE-22-SM6-3ba (DOI: 10.1002/chem.201603092)
Wiley ID 1905115