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(E)-(1-benzoylcyclopropyl)(2-(3,3-dimethyltriaz-1-en-1-yl)-5-iodophenyl)methanone
SpectraBase Compound ID DkXDM4afjC3
InChI InChI=1S/C19H18IN3O2/c1-23(2)22-21-16-9-8-14(20)12-15(16)18(25)19(10-11-19)17(24)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3/b22-21+
InChIKey HYFVKRJCDAEBLN-QURGRASLSA-N
Mol Weight 447.28 g/mol
Molecular Formula C19H18IN3O2
Exact Mass 447.044372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lk7Hp3kki9
Name (E)-(1-benzoylcyclopropyl)(2-(3,3-dimethyltriaz-1-en-1-yl)-5-iodophenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18IN3O2
InChI InChI=1S/C19H18IN3O2/c1-23(2)22-21-16-9-8-14(20)12-15(16)18(25)19(10-11-19)17(24)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3/b22-21+
InChIKey HYFVKRJCDAEBLN-QURGRASLSA-N
Literature Reference DOI 10.1021/ol400223d
Molecular Weight 447.276 g/mol
SMILES C1(CC1)(C(c1c(ccc(c1)I)\N=N\N(C)C)=O)C(c1ccccc1)=O
SPLASH splash10-056s-3934400000-3e7eba7df7da13088cd9
Source of Spectrum A1-15-1282/SM8-1_2c
Wiley ID 1748399