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N-{4-Iodo-2,6-bis(phenylthio)phenyl}pyrimidin-2-amine
SpectraBase Compound ID 7V0u5ECFUlg
InChI InChI=1S/C22H16IN3S2/c23-16-14-19(27-17-8-3-1-4-9-17)21(26-22-24-12-7-13-25-22)20(15-16)28-18-10-5-2-6-11-18/h1-15H,(H,24,25,26)
InChIKey UNHIUUIOYZDJQA-UHFFFAOYSA-N
Mol Weight 513.42 g/mol
Molecular Formula C22H16IN3S2
Exact Mass 512.983035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sTo7JqVeIo
Name N-{4-Iodo-2,6-bis(phenylthio)phenyl}pyrimidin-2-amine
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.983034875 u
Formula C22H16IN3S2
InChI InChI=1S/C22H16IN3S2/c23-16-14-19(27-17-8-3-1-4-9-17)21(26-22-24-12-7-13-25-22)20(15-16)28-18-10-5-2-6-11-18/h1-15H,(H,24,25,26)
InChIKey UNHIUUIOYZDJQA-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201603092
Molecular Weight 513.415 g/mol
Quality 16
Reported Formula C22H16IN3S2
SMILES N(C1=C(C=C(I)C=C1SC1=CC=CC=C1)SC1=CC=CC=C1)C1=NC=CC=N1
SPLASH splash10-0udi-0111910000-cfde8303ac31e48f749d
Source of Spectrum QE-22-SM9-3ga (DOI: 10.1002/chem.201603092)
Wiley ID 1905118