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

View entire compound with spectra: 2 NMR

2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 6GhPzoMLbrR
InChI InChI=1S/C16H12F3N5OS/c17-16(18,19)12-8-4-5-9-13(12)20-14(25)10-26-15-21-22-23-24(15)11-6-2-1-3-7-11/h1-9H,10H2,(H,20,25)
InChIKey KORHSDWWLSEAOW-UHFFFAOYSA-N
Mol Weight 379.36 g/mol
Molecular Formula C16H12F3N5OS
Exact Mass 379.071466 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JBJKiCbVeHb
Name 2-[(1-Phenyl-1H-tetraazol-5-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.071465688 u
Formula C16H12F3N5OS
InChI InChI=1S/C16H12F3N5OS/c17-16(18,19)12-8-4-5-9-13(12)20-14(25)10-26-15-21-22-23-24(15)11-6-2-1-3-7-11/h1-9H,10H2,(H,20,25)
InChIKey KORHSDWWLSEAOW-UHFFFAOYSA-N
Molecular Weight 379.361 g/mol
SMILES N(C1=C(C(F)(F)F)C=CC=C1)C(CSC=1N(N=NN1)C1=CC=CC=C1)=O