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3-Bromobenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate

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

3-Bromobenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
SpectraBase Compound ID 988ekUM3LhL
InChI InChI=1S/C16H13BrN4O2/c17-12-6-4-5-11(9-12)10-23-16(22)14-15(18)20-21(19-14)13-7-2-1-3-8-13/h1-9H,10H2,(H2,18,20)
InChIKey YJZHADQHCRDOIT-UHFFFAOYSA-N
Mol Weight 373.21 g/mol
Molecular Formula C16H13BrN4O2
Exact Mass 372.022189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMSeq6VAliU
Name 3-Bromobenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.022188673 u
Formula C16H13BrN4O2
InChI InChI=1S/C16H13BrN4O2/c17-12-6-4-5-11(9-12)10-23-16(22)14-15(18)20-21(19-14)13-7-2-1-3-8-13/h1-9H,10H2,(H2,18,20)
InChIKey YJZHADQHCRDOIT-UHFFFAOYSA-N
Molecular Weight 373.210 g/mol
SMILES C=1C(COC(C2=NN(C3=CC=CC=C3)N=C2N)=O)=CC=CC1Br