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2-(tert-Butylthio)-3-(phenylethynyl)pyridine
SpectraBase Compound ID 4WnxGt8cIIs
InChI InChI=1S/C17H17NS/c1-17(2,3)19-16-15(10-7-13-18-16)12-11-14-8-5-4-6-9-14/h4-10,13H,1-3H3
InChIKey BHULGIHAWWZGRO-UHFFFAOYSA-N
Mol Weight 267.39 g/mol
Molecular Formula C17H17NS
Exact Mass 267.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HU3tPBVDvE9
Name 2-(tert-Butylthio)-3-(phenylethynyl)pyridine
Appearance Brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NS
InChI InChI=1S/C17H17NS/c1-17(2,3)19-16-15(10-7-13-18-16)12-11-14-8-5-4-6-9-14/h4-10,13H,1-3H3
InChIKey BHULGIHAWWZGRO-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS QP2010
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202100102
Molecular Weight 267.390 g/mol
Reported Formula C17H17NS
SMILES c1(c(nccc1)SC(C)(C)C)C#Cc1ccccc1
SPLASH splash10-03di-0190000000-bd764722db1470c197c7
Source of Spectrum AJO-10-SM6-1g
Wiley ID 1866343