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2-(1-adamantylsulfanyl)-5-methylpyridine
SpectraBase Compound ID 8lphUh7v2q4
InChI InChI=1S/C16H21NS/c1-11-2-3-15(17-10-11)18-16-7-12-4-13(8-16)6-14(5-12)9-16/h2-3,10,12-14H,4-9H2,1H3
InChIKey WLKOQUKFBJERNI-UHFFFAOYSA-N
Mol Weight 259.41 g/mol
Molecular Formula C16H21NS
Exact Mass 259.139471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yvBVxRjrpw
Name 2-(1-adamantylsulfanyl)-5-methylpyridine
CAS Registry Number 94957-80-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NS
InChI InChI=1S/C16H21NS/c1-11-2-3-15(17-10-11)18-16-7-12-4-13(8-16)6-14(5-12)9-16/h2-3,10,12-14H,4-9H2,1H3
InChIKey WLKOQUKFBJERNI-UHFFFAOYSA-N
Molecular Weight 259.411 g/mol
SMILES C12(Sc3ncc(cc3)C)CC3CC(C1)CC(C2)C3
SPLASH splash10-0a70-3590000000-e5cf285b81d30deb2981
Source of Spectrum J-50-1000-0
Synonyms 2-(1-adamantylthio)-5-methylpyridine 2-(1-adamantylsulfanyl)-5-methyl-pyridine
Wiley ID 1262911