For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

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

4-(4-Methylbenzoyl)-1-n-butyl-5-tosylamino-1H-1,2,3-triazole
SpectraBase Compound ID GyTshw8joUK
InChI InChI=1S/C21H24N4O3S/c1-4-5-14-25-21(23-29(27,28)18-12-8-16(3)9-13-18)19(22-24-25)20(26)17-10-6-15(2)7-11-17/h6-13,23H,4-5,14H2,1-3H3
InChIKey HGBVDUBZVCLVGJ-UHFFFAOYSA-N
Mol Weight 412.51 g/mol
Molecular Formula C21H24N4O3S
Exact Mass 412.156912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID I5Gt2EBLgk7
Name 4-(4-Methylbenzoyl)-1-N-butyl-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 412.156911820 u
Formula C21H24N4O3S
InChI InChI=1S/C21H24N4O3S/c1-4-5-14-25-21(23-29(27,28)18-12-8-16(3)9-13-18)19(22-24-25)20(26)17-10-6-15(2)7-11-17/h6-13,23H,4-5,14H2,1-3H3
InChIKey HGBVDUBZVCLVGJ-UHFFFAOYSA-N
Molecular Weight 412.508 g/mol
SMILES C=1(N=NN(C1NS(=O)(=O)C=1C=CC(C)=CC1)CCCC)C(C=1C=CC(=CC1)C)=O