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(E)-1-[2-(3,3-Dimethyltriaz-1-enyl)phenyl]-3-(4-iodophenyl)-2,2-dimethylpropane-1,3-dione
SpectraBase Compound ID BzvRSA9jHMs
InChI InChI=1S/C19H20IN3O2/c1-19(2,17(24)13-9-11-14(20)12-10-13)18(25)15-7-5-6-8-16(15)21-22-23(3)4/h5-12H,1-4H3/b22-21+
InChIKey CAYZDLNMWAFCOS-QURGRASLSA-N
Mol Weight 449.29 g/mol
Molecular Formula C19H20IN3O2
Exact Mass 449.060022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5dfKJaOGyGW
Name (E)-1-[2-(3,3-Dimethyltriaz-1-enyl)phenyl]-3-(4-iodophenyl)-2,2-dimethylpropane-1,3-dione
Alternate Name(s) (E)-1-(2-(3,3-dimethyltriaz-1-en-1-yl)phenyl)-3-(4-iodophenyl)-2,2-dimethylpropane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20IN3O2
InChI InChI=1S/C19H20IN3O2/c1-19(2,17(24)13-9-11-14(20)12-10-13)18(25)15-7-5-6-8-16(15)21-22-23(3)4/h5-12H,1-4H3/b22-21+
InChIKey CAYZDLNMWAFCOS-QURGRASLSA-N
Molecular Weight 449.292 g/mol
SMILES C(C(c1c(\N=N\N(C)C)cccc1)=O)(C(c1ccc(cc1)I)=O)(C)C
SPLASH splash10-0a59-0790500000-e6ee2a504ef872f35e4b
Source of Spectrum U1-2013-7415-3e
Wiley ID 1736256