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2-(Methylsulfanyl)-4,5-diphenylpyrimidine
SpectraBase Compound ID B4XKOTTBSFq
InChI InChI=1S/C17H14N2S/c1-20-17-18-12-15(13-8-4-2-5-9-13)16(19-17)14-10-6-3-7-11-14/h2-12H,1H3
InChIKey NDLVRFYMBDRXMU-UHFFFAOYSA-N
Mol Weight 278.37 g/mol
Molecular Formula C17H14N2S
Exact Mass 278.08777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3R5YTMzjqkw
Name 2-(Methylsulfanyl)-4,5-diphenylpyrimidine
Appearance Pale yellow crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.087769633 u
Formula C17H14N2S
InChI InChI=1S/C17H14N2S/c1-20-17-18-12-15(13-8-4-2-5-9-13)16(19-17)14-10-6-3-7-11-14/h2-12H,1H3
InChIKey NDLVRFYMBDRXMU-UHFFFAOYSA-N
Instrument Name Shimadzu 5050
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4369
Quality 955
SMILES C1(=NC(=C(C=N1)C1=CC=CC=C1)C1=CC=CC=C1)SC
SPLASH splash10-004l-5490000000-e17b0f7bcb6128884e46
Source of Spectrum Y-59-SM43-9 (DOI: 10.1002/jhet.4369)
Wiley ID 1892386