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5-Butyl-3-(2-ethylphenyl)-1H-2,1,3,4-thiatriazol-2-one
SpectraBase Compound ID LHv95eeUKly
InChI InChI=1S/C13H19N3OS/c1-3-5-10-13-14-16(18(17)15-13)12-9-7-6-8-11(12)4-2/h6-9H,3-5,10H2,1-2H3,(H,14,15)
InChIKey WYYBQAXPZCMZBL-UHFFFAOYSA-N
Mol Weight 265.37 g/mol
Molecular Formula C13H19N3OS
Exact Mass 265.124883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 61Ktul6gm93
Name 5-Butyl-3-(2-ethylphenyl)-1H-2,1,3,4-thiatriazol-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H19N3OS
InChI InChI=1S/C13H19N3OS/c1-3-5-10-13-14-16(18(17)15-13)12-9-7-6-8-11(12)4-2/h6-9H,3-5,10H2,1-2H3,(H,14,15)
InChIKey WYYBQAXPZCMZBL-UHFFFAOYSA-N
Molecular Weight 265.375 g/mol
SMILES N1C(=NN(S1=O)c1c(CC)cccc1)CCCC
SPLASH splash10-00xr-0090000000-2bdbc54e76fa8e56214c
Source of Spectrum QA-43-91-50
Synonyms 4-butyl-2-(2-ethylphenyl)-2,5-dihydro-1,2,3,5-thiatriazole 1-oxide
Wiley ID 862138