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4-Amino-5-(4-tert-butyl-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol
SpectraBase Compound ID IkrNsL4zFg1
InChI InChI=1S/C13H18N4OS/c1-13(2,3)9-4-6-10(7-5-9)18-8-11-15-16-12(19)17(11)14/h4-7H,8,14H2,1-3H3,(H,16,19)
InChIKey SMZUXYWGELHKIX-UHFFFAOYSA-N
Mol Weight 278.37 g/mol
Molecular Formula C13H18N4OS
Exact Mass 278.120132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8w1uvpiBCaQ
Name 4-Amino-5-(4-tert-butyl-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N4OS
InChI InChI=1S/C13H18N4OS/c1-13(2,3)9-4-6-10(7-5-9)18-8-11-15-16-12(19)17(11)14/h4-7H,8,14H2,1-3H3,(H,16,19)
InChIKey SMZUXYWGELHKIX-UHFFFAOYSA-N
Molecular Weight 278.374 g/mol
SMILES Sc1[n](c(nn1)COc1ccc(C(C)(C)C)cc1)N
SPLASH splash10-002r-4920000000-840ec8e2723d9346aae2
Synonyms 4-Amino-3-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazole-5-thione 4-Azanyl-3-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Wiley ID 1463691