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N-benzyl-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetamide

View entire compound with spectra: 2 NMR

N-benzyl-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetamide
SpectraBase Compound ID ICK9HJCFCP
InChI InChI=1S/C16H15N5OS/c22-15(17-11-13-7-3-1-4-8-13)12-23-16-18-19-20-21(16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,22)
InChIKey ITDIQIMSYJPPDA-UHFFFAOYSA-N
Mol Weight 325.39 g/mol
Molecular Formula C16H15N5OS
Exact Mass 325.099731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7aZ2aFQJypJ
Name N-Benzyl-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 325.099731296 u
Formula C16H15N5OS
InChI InChI=1S/C16H15N5OS/c22-15(17-11-13-7-3-1-4-8-13)12-23-16-18-19-20-21(16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,22)
InChIKey ITDIQIMSYJPPDA-UHFFFAOYSA-N
Molecular Weight 325.390 g/mol
SMILES N(C(CSC=1N(N=NN1)C=1C=CC=CC1)=O)CC=1C=CC=CC1