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5-Butyl-3-phenyl-1H-2,1,3,4-thiatriazol-2-one
SpectraBase Compound ID K8YPqUctMMv
InChI InChI=1S/C11H15N3OS/c1-2-3-9-11-12-14(16(15)13-11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)
InChIKey MYJMTZOGLZPDCG-UHFFFAOYSA-N
Mol Weight 237.32 g/mol
Molecular Formula C11H15N3OS
Exact Mass 237.093583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RWv6KIrXzd
Name 5-Butyl-3-phenyl-1H-2,1,3,4-thiatriazol-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C11H15N3OS
InChI InChI=1S/C11H15N3OS/c1-2-3-9-11-12-14(16(15)13-11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)
InChIKey MYJMTZOGLZPDCG-UHFFFAOYSA-N
Molecular Weight 237.321 g/mol
SMILES N1C(=NN(S1=O)c1ccccc1)CCCC
SPLASH splash10-000i-0190000000-01426bea9c0efc724dde
Source of Spectrum QA-43-91-49
Synonyms 4-butyl-2-phenyl-2,5-dihydro-1,2,3,5-thiatriazole 1-oxide
Wiley ID 862139