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2-(4-(methylthio)phenyl)-5-(p-tolyl)pyrimidine
SpectraBase Compound ID 47lTOXo8KEM
InChI InChI=1S/C18H16N2S/c1-13-3-5-14(6-4-13)16-11-19-18(20-12-16)15-7-9-17(21-2)10-8-15/h3-12H,1-2H3
InChIKey KUKUUCFQWQTTBT-UHFFFAOYSA-N
Mol Weight 292.4 g/mol
Molecular Formula C18H16N2S
Exact Mass 292.10342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GboGEXcYxJg
Name 2-(4-(methylthio)phenyl)-5-(p-tolyl)pyrimidine
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.103419697 u
Formula C18H16N2S
InChI InChI=1S/C18H16N2S/c1-13-3-5-14(6-4-13)16-11-19-18(20-12-16)15-7-9-17(21-2)10-8-15/h3-12H,1-2H3
InChIKey KUKUUCFQWQTTBT-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202210491
Molecular Weight 292.400 g/mol
Quality 105
Reported Formula C18H16N2S
SMILES CSC1=CC=C(C=C1)C1=NC=C(C=N1)C1=CC=C(C=C1)C
SPLASH splash10-0006-0090000000-5e58740e66c4df617925
Source of Spectrum ACI-61-SM54-7c (DOI: 10.1002/anie.202210491)
Wiley ID 1899489