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2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide

View entire compound with spectra: 2 NMR

2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
SpectraBase Compound ID 6houyxrWZcE
InChI InChI=1S/C14H18N4OS/c1-2-3-9-12-16-14(18-17-12)20-10-13(19)15-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,15,19)(H,16,17,18)
InChIKey UZCWJUFVZQCWQS-UHFFFAOYSA-N
Mol Weight 290.38 g/mol
Molecular Formula C14H18N4OS
Exact Mass 290.120132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7y6K46FJpuC
Name 2-[(5-Butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.120132389 u
Formula C14H18N4OS
InChI InChI=1S/C14H18N4OS/c1-2-3-9-12-16-14(18-17-12)20-10-13(19)15-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,15,19)(H,16,17,18)
InChIKey UZCWJUFVZQCWQS-UHFFFAOYSA-N
Molecular Weight 290.385 g/mol
SMILES N(C(CSC=1NC(=NN1)CCCC)=O)C1=CC=CC=C1