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4-Benzoyl-1-isopropyl-5-tosylamino-1H-1,2,3-triazole

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

4-Benzoyl-1-isopropyl-5-tosylamino-1H-1,2,3-triazole
SpectraBase Compound ID 7p6KDcbmOJW
InChI InChI=1S/C19H20N4O3S/c1-13(2)23-19(21-27(25,26)16-11-9-14(3)10-12-16)17(20-22-23)18(24)15-7-5-4-6-8-15/h4-13,21H,1-3H3
InChIKey ZEXUAMAUUYVUAQ-UHFFFAOYSA-N
Mol Weight 384.45 g/mol
Molecular Formula C19H20N4O3S
Exact Mass 384.125612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3yn9t8IQshQ
Name 4-Benzoyl-1-isopropyl-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 384.125611691 u
Formula C19H20N4O3S
InChI InChI=1S/C19H20N4O3S/c1-13(2)23-19(21-27(25,26)16-11-9-14(3)10-12-16)17(20-22-23)18(24)15-7-5-4-6-8-15/h4-13,21H,1-3H3
InChIKey ZEXUAMAUUYVUAQ-UHFFFAOYSA-N
Molecular Weight 384.454 g/mol
SMILES C=1(N=NN(C1NS(=O)(=O)C=1C=CC(C)=CC1)C(C)C)C(C=1C=CC=CC1)=O