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ethyl (2E)-[(2-methylphenyl)hydrazono]{[1-(4-methylphenyl)-1H-tetraazol-5-yl]sulfanyl}ethanoate
SpectraBase Compound ID 89D5RR1ODeV
InChI InChI=1S/C19H20N6O2S/c1-4-27-18(26)17(21-20-16-8-6-5-7-14(16)3)28-19-22-23-24-25(19)15-11-9-13(2)10-12-15/h5-12,20H,4H2,1-3H3/b21-17+
InChIKey PGYWZSUFGBADDP-HEHNFIMWSA-N
Mol Weight 396.47 g/mol
Molecular Formula C19H20N6O2S
Exact Mass 396.136845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 98usjiQYNyC
Name Ethyl (2E)-[(2-methylphenyl)hydrazono]{[1-(4-methylphenyl)-1H-tetraazol-5-yl]sulfanyl}ethanoate
Comments Computed using HOSE algorithm
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Exact Mass 396.136845080 u
Formula C19H20N6O2S
InChI InChI=1S/C19H20N6O2S/c1-4-27-18(26)17(21-20-16-8-6-5-7-14(16)3)28-19-22-23-24-25(19)15-11-9-13(2)10-12-15/h5-12,20H,4H2,1-3H3/b21-17+
InChIKey PGYWZSUFGBADDP-HEHNFIMWSA-N
Molecular Weight 396.469 g/mol
SMILES N(\N=C/(SC=1N(N=NN1)C=1C=CC(=CC1)C)C(=O)OCC)C1=C(C)C=CC=C1