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methyl 2-(benzotriazol-1-yl)-2-(4-bromophenyl)acetate
SpectraBase Compound ID IuRgKktZA2V
InChI InChI=1S/C15H12BrN3O2/c1-21-15(20)14(10-6-8-11(16)9-7-10)19-13-5-3-2-4-12(13)17-18-19/h2-9,14H,1H3
InChIKey JGUBGRCQZRIPML-UHFFFAOYSA-N
Mol Weight 346.18 g/mol
Molecular Formula C15H12BrN3O2
Exact Mass 345.01129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnWhOf2pA7d
Name methyl 2-(benzotriazol-1-yl)-2-(4-bromophenyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.011289636 u
Formula C15H12BrN3O2
InChI InChI=1S/C15H12BrN3O2/c1-21-15(20)14(10-6-8-11(16)9-7-10)19-13-5-3-2-4-12(13)17-18-19/h2-9,14H,1H3
InChIKey JGUBGRCQZRIPML-UHFFFAOYSA-N
Instrument Name Agilent 7890B-5977B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201807039
Molecular Weight 346.184 g/mol
Quality 836
SMILES C1=2N=NN(C2C=CC=C1)C(C(OC)=O)C1=CC=C(C=C1)Br
SPLASH splash10-004r-3950000000-7d8f6b4c9da685443833
Source of Spectrum ACI-57-SM155-155-2 (DOI: 10.1002/anie.201807039)
Wiley ID 1896797