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1-benzhydryl-3-nitro-5-(phenylsulfanyl)-1H-1,2,4-triazole

View entire compound with spectra: 2 NMR

1-benzhydryl-3-nitro-5-(phenylsulfanyl)-1H-1,2,4-triazole
SpectraBase Compound ID 4V7kuKgQCNE
InChI InChI=1S/C21H16N4O2S/c26-25(27)20-22-21(28-18-14-8-3-9-15-18)24(23-20)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19H
InChIKey HUCJDDWCEDSMFX-UHFFFAOYSA-N
Mol Weight 388.45 g/mol
Molecular Formula C21H16N4O2S
Exact Mass 388.099397 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5KyrS8yLRo
Name 1-Benzhydryl-3-nitro-5-(phenylsulfanyl)-1H-1,2,4-triazole
Comments Computed using HOSE algorithm
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Exact Mass 388.099396943 u
Formula C21H16N4O2S
InChI InChI=1S/C21H16N4O2S/c26-25(27)20-22-21(28-18-14-8-3-9-15-18)24(23-20)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19H
InChIKey HUCJDDWCEDSMFX-UHFFFAOYSA-N
Molecular Weight 388.445 g/mol
SMILES C=1(N=C(SC2=CC=CC=C2)N(N1)C(C1=CC=CC=C1)C=1C=CC=CC1)[N+]([O-])=O