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4-(4-Methylbenzoyl)-1-methyl-5-tosylamino-1H-1,2,3-triazole

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

4-(4-Methylbenzoyl)-1-methyl-5-tosylamino-1H-1,2,3-triazole
SpectraBase Compound ID A1XmkWl1z3A
InChI InChI=1S/C18H18N4O3S/c1-12-4-8-14(9-5-12)17(23)16-18(22(3)21-19-16)20-26(24,25)15-10-6-13(2)7-11-15/h4-11,20H,1-3H3
InChIKey YRBPLHPVEVMYPP-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 7tFuhKSpBVy
Name 4-(4-Methylbenzoyl)-1-methyl-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/c1-12-4-8-14(9-5-12)17(23)16-18(22(3)21-19-16)20-26(24,25)15-10-6-13(2)7-11-15/h4-11,20H,1-3H3
InChIKey YRBPLHPVEVMYPP-UHFFFAOYSA-N
Molecular Weight 370.427 g/mol
SMILES C=1(N=NN(C1NS(=O)(=O)C=1C=CC(C)=CC1)C)C(C=1C=CC(=CC1)C)=O