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3-[(4-Isobutoxybenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazole
SpectraBase Compound ID 5zibpK2UvhR
InChI InChI=1S/C14H19N3OS/c1-10(2)8-18-13-6-4-12(5-7-13)9-19-14-15-11(3)16-17-14/h4-7,10H,8-9H2,1-3H3,(H,15,16,17)
InChIKey XOUGSWWPNSNNRC-UHFFFAOYSA-N
Mol Weight 277.39 g/mol
Molecular Formula C14H19N3OS
Exact Mass 277.124883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OnSZujoy3P
Name 3-[(4-Isobutoxybenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazole
CAS Registry Number 57736-55-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19N3OS
InChI InChI=1S/C14H19N3OS/c1-10(2)8-18-13-6-4-12(5-7-13)9-19-14-15-11(3)16-17-14/h4-7,10H,8-9H2,1-3H3,(H,15,16,17)
InChIKey XOUGSWWPNSNNRC-UHFFFAOYSA-N
Molecular Weight 277.386 g/mol
SMILES [nH]1c(nnc1SCc1ccc(cc1)OCC(C)C)C
SPLASH splash10-0a4i-1900000000-ac69c4d2894bf9d66623
Source of Spectrum NP-8-7367-0
Synonyms 3-(4-Isobutoxybenzylthio)-5-methyl-1,2,4-triazole 5-Methyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole 3-[(4-isobutoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole 5-Methyl-3-[[4-(2-methylpropoxy)phenyl]methylsulfanyl]-1H-1,2,4-triazole
Wiley ID 1107572