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2-(1-Benzyl-1H-1,2,3-triazol-4-yl)propan-2-yl 2-methylbenzoate

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

2-(1-Benzyl-1H-1,2,3-triazol-4-yl)propan-2-yl 2-methylbenzoate
SpectraBase Compound ID ILmkRZbQyA
InChI InChI=1S/C20H21N3O2/c1-15-9-7-8-12-17(15)19(24)25-20(2,3)18-14-23(22-21-18)13-16-10-5-4-6-11-16/h4-12,14H,13H2,1-3H3
InChIKey DLOBQKVIPSFKIH-UHFFFAOYSA-N
Mol Weight 335.41 g/mol
Molecular Formula C20H21N3O2
Exact Mass 335.163377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JVqV3bROz8Z
Name 2-(1-Benzyl-1H-1,2,3-triazol-4-yl)propan-2-yl 2-methylbenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.163376926 u
Formula C20H21N3O2
InChI InChI=1S/C20H21N3O2/c1-15-9-7-8-12-17(15)19(24)25-20(2,3)18-14-23(22-21-18)13-16-10-5-4-6-11-16/h4-12,14H,13H2,1-3H3
InChIKey DLOBQKVIPSFKIH-UHFFFAOYSA-N
Molecular Weight 335.407 g/mol
SMILES CC(C=1N=NN(C1)CC1=CC=CC=C1)(OC(C1=C(C=CC=C1)C)=O)C