4-Hexyl-1-[2-(methylthio)-1-phenylethyl]-1H-1,2,3-triazole

SpectraBase Compound ID	3ZN6Pe2XAmI
InChI	InChI=1S/C17H25N3S/c1-3-4-5-9-12-16-13-20(19-18-16)17(14-21-2)15-10-7-6-8-11-15/h6-8,10-11,13,17H,3-5,9,12,14H2,1-2H3
InChIKey	BEJNDZZRNOJAKX-UHFFFAOYSA-N Google Search
Mol Weight	303.47 g/mol
Molecular Formula	C17H25N3S
Exact Mass	303.176919 g/mol

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SpectraBase Spectrum ID	JyqRKtjazXL
Name	4-Hexyl-1-[2-(methylthio)-1-phenylethyl]-1H-1,2,3-triazole
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H25N3S
InChI	InChI=1S/C17H25N3S/c1-3-4-5-9-12-16-13-20(19-18-16)17(14-21-2)15-10-7-6-8-11-15/h6-8,10-11,13,17H,3-5,9,12,14H2,1-2H3
InChIKey	BEJNDZZRNOJAKX-UHFFFAOYSA-N
Literature Reference DOI	10.1021/jo400110m
Molecular Weight	303.468 g/mol
SMILES	c1[n](nnc1CCCCCC)C(c1ccccc1)CSC
SPLASH	splash10-0udi-2900000000-7a98c1515da9f7157f22
Source of Spectrum	J-78-5036-3ge
Synonyms	4-Hexyl-1-(2-(methylthio)-1-phenylethyl)-1H-1,2,3-triazole 4-Hexyl-1-[2-(methylthio)-1-phenylethyl]triazole 4-Hexyl-1-(2-methylsulfanyl-1-phenylethyl)triazole 4-Hexyl-1-(2-methylsulfanyl-1-phenyl-ethyl)triazole 4-Hexyl-1-(2-methylsulfanyl-1-phenyl-ethyl)-1,2,3-triazole
Wiley ID	1745447