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(E)-(1-benzoylcyclopropyl)(3-bromo-5-fluoro-2-(pyrrolidin-1-yldiazenyl)phenyl)methanone
SpectraBase Compound ID A70mWmruvAA
InChI InChI=1S/C21H19BrFN3O2/c22-17-13-15(23)12-16(18(17)24-25-26-10-4-5-11-26)20(28)21(8-9-21)19(27)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2/b25-24+
InChIKey QKZZWOLKOHXIAN-OCOZRVBESA-N
Mol Weight 444.3 g/mol
Molecular Formula C21H19BrFN3O2
Exact Mass 443.064468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3NzyBLAp2h
Name (E)-(1-benzoylcyclopropyl)(3-bromo-5-fluoro-2-(pyrrolidin-1-yldiazenyl)phenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19BrFN3O2
InChI InChI=1S/C21H19BrFN3O2/c22-17-13-15(23)12-16(18(17)24-25-26-10-4-5-11-26)20(28)21(8-9-21)19(27)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2/b25-24+
InChIKey QKZZWOLKOHXIAN-OCOZRVBESA-N
Literature Reference DOI 10.1021/ol400223d
Molecular Weight 444.304 g/mol
SMILES C1(CC1)(C(c1ccccc1)=O)C(=O)c1c(c(cc(c1)F)Br)\N=N\N1CCCC1
SPLASH splash10-0a6r-4912000000-5ba50a2089065c6bff82
Source of Spectrum A1-15-1282/SM13-1_2l
Wiley ID 1748408