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(rac)-2-(4-Phenylbutan-2-ylthio)pyrimidine
SpectraBase Compound ID IKdigtbIm99
InChI InChI=1S/C14H16N2S/c1-12(17-14-15-10-5-11-16-14)8-9-13-6-3-2-4-7-13/h2-7,10-12H,8-9H2,1H3
InChIKey ZVAXAVNFDLZFAQ-UHFFFAOYSA-N
Mol Weight 244.36 g/mol
Molecular Formula C14H16N2S
Exact Mass 244.10342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lgnr76nbzl
Name (rac)-2-(4-Phenylbutan-2-ylthio)pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2S
InChI InChI=1S/C14H16N2S/c1-12(17-14-15-10-5-11-16-14)8-9-13-6-3-2-4-7-13/h2-7,10-12H,8-9H2,1H3
InChIKey ZVAXAVNFDLZFAQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo402246h
Molecular Weight 244.356 g/mol
SMILES c1cc(ccc1)CCC(Sc1ncccn1)C
SPLASH splash10-001l-2910000000-1b0f5cb1ba07f9f3a533
Source of Spectrum J-78-12609-3g
Synonyms 2-((4-phenylbutan-2-yl)thio)pyrimidine
Wiley ID 1747387