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1-(5-((5-bromo-2H-benzo[d][1,2,3]triazol-2-yl)(phenyl)methyl)-2-methylfuran-3-yl)ethan-1-one
SpectraBase Compound ID 7S1Y3FgTe0e
InChI InChI=1S/C20H16BrN3O2/c1-12(25)16-11-19(26-13(16)2)20(14-6-4-3-5-7-14)24-22-17-9-8-15(21)10-18(17)23-24/h3-11,20H,1-2H3
InChIKey DOXNINQGYGZSAF-UHFFFAOYSA-N
Mol Weight 410.27 g/mol
Molecular Formula C20H16BrN3O2
Exact Mass 409.04259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sKWTEOQTuD
Name 1-(5-((5-bromo-2H-benzo[d][1,2,3]triazol-2-yl)(phenyl)methyl)-2-methylfuran-3-yl)ethan-1-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.042589765 u
Formula C20H16BrN3O2
InChI InChI=1S/C20H16BrN3O2/c1-12(25)16-11-19(26-13(16)2)20(14-6-4-3-5-7-14)24-22-17-9-8-15(21)10-18(17)23-24/h3-11,20H,1-2H3
InChIKey DOXNINQGYGZSAF-UHFFFAOYSA-N
Instrument Name Agilent 7890B-5977B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201807039
Molecular Weight 410.271 g/mol
Quality 484
Reported Formula C20H16BrN3O2
SMILES C=1(Br)C=CC=2C(=NN(N2)C(C2=CC=CC=C2)C2=CC(=C(O2)C)C(C)=O)C1
SPLASH splash10-03di-0390000000-4fc3ed7245542be0f3bd
Source of Spectrum ACI-57-SM181-6k (DOI: 10.1002/anie.201807039)
Wiley ID 1896840