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4-Phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl hydrosulfide, acetate

View entire compound with spectra: 1 NMR

4-Phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl hydrosulfide, acetate
SpectraBase Compound ID 3QldBxJIXIg
InChI InChI=1S/C18H17N3OS/c1-14(22)23-18-20-19-17(13-12-15-8-4-2-5-9-15)21(18)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKey JMHVCBUANDSWSF-UHFFFAOYSA-N
Mol Weight 323.41 g/mol
Molecular Formula C18H17N3OS
Exact Mass 323.109233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KmPncP1TPmy
Name 4-Phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl hydrosulfide, acetate
Comments Computed using HOSE algorithm
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Exact Mass 323.109233352 u
Formula C18H17N3OS
InChI InChI=1S/C18H17N3OS/c1-14(22)23-18-20-19-17(13-12-15-8-4-2-5-9-15)21(18)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKey JMHVCBUANDSWSF-UHFFFAOYSA-N
Molecular Weight 323.414 g/mol
SMILES C=1(SC(C)=O)N(C(=NN1)CCC1=CC=CC=C1)C1=CC=CC=C1