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4-Acetyl-1-benzyl-5-tosylamino-1H-1,2,3-triazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Acetyl-1-benzyl-5-tosylamino-1H-1,2,3-triazole
SpectraBase Compound ID S29m7UWBaB
InChI InChI=1S/C18H18N4O3S/c1-13-8-10-16(11-9-13)26(24,25)20-18-17(14(2)23)19-21-22(18)12-15-6-4-3-5-7-15/h3-11,20H,12H2,1-2H3
InChIKey FKSCMHFOGVXOAK-UHFFFAOYSA-N
Mol Weight 370.43 g/mol
Molecular Formula C18H18N4O3S
Exact Mass 370.109962 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Zq68ILuiMT
Name 4-Acetyl-1-benzyl-5-tosylamino-1H-1,2,3-triazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.109961627 u
Formula C18H18N4O3S
InChI InChI=1S/C18H18N4O3S/c1-13-8-10-16(11-9-13)26(24,25)20-18-17(14(2)23)19-21-22(18)12-15-6-4-3-5-7-15/h3-11,20H,12H2,1-2H3
InChIKey FKSCMHFOGVXOAK-UHFFFAOYSA-N
Molecular Weight 370.427 g/mol
SMILES C=1(N=NN(C1NS(=O)(=O)C=1C=CC(C)=CC1)CC=1C=CC=CC1)C(=O)C