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methyl 2-(2H-benzo[d][1,2,3]triazol-2-yl)-2-(4-(trifluoromethyl)phenyl)acetate
SpectraBase Compound ID 5kTOoyRuKOB
InChI InChI=1S/C16H12F3N3O2/c1-24-15(23)14(10-6-8-11(9-7-10)16(17,18)19)22-20-12-4-2-3-5-13(12)21-22/h2-9,14H,1H3
InChIKey JEVAONXMFKFASG-UHFFFAOYSA-N
Mol Weight 335.29 g/mol
Molecular Formula C16H12F3N3O2
Exact Mass 335.088161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AeTsCFYQfCv
Name methyl 2-(2H-benzo[d][1,2,3]triazol-2-yl)-2-(4-(trifluoromethyl)phenyl)acetate
Appearance White solid
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Exact Mass 335.088161125 u
Formula C16H12F3N3O2
InChI InChI=1S/C16H12F3N3O2/c1-24-15(23)14(10-6-8-11(9-7-10)16(17,18)19)22-20-12-4-2-3-5-13(12)21-22/h2-9,14H,1H3
InChIKey JEVAONXMFKFASG-UHFFFAOYSA-N
Instrument Name Agilent 7890B-5977B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201807039
Molecular Weight 335.286 g/mol
Quality 836
Reported Formula C16H12F3N3O2
SMILES COC(C(C1=CC=C(C=C1)C(F)(F)F)N1N=C2C(=N1)C=CC=C2)=O
SPLASH splash10-004i-2492000000-58a8c97eee3fffe66750
Source of Spectrum ACI-57-SM156-3e (DOI: 10.1002/anie.201807039)
Wiley ID 1896817