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5-(4-Bromobenzoyl)-6,8-dinitro-1-phenyl-1H-1,2,4-trazolo[5,1-a]isoindole
SpectraBase Compound ID 7kjuekd4stQ
InChI InChI=1S/C22H12BrN5O5/c23-14-8-6-13(7-9-14)21(29)20-19-17(10-16(27(30)31)11-18(19)28(32)33)22-25(12-24-26(20)22)15-4-2-1-3-5-15/h1-12H
InChIKey DVNSBUUANMVQFP-UHFFFAOYSA-N
Mol Weight 506.27 g/mol
Molecular Formula C22H12BrN5O5
Exact Mass 505.002182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3wQVMxnpjd
Name 5-(4-Bromobenzoyl)-6,8-dinitro-1-phenyl-1H-1,2,4-trazolo[5,1-a]isoindole
Alternate Name(s) (4-bromophenyl)(6,8-dinitro-1-phenyl-1H-[1,2,4]triazolo[5,1-a]isoindol-5-yl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H12BrN5O5
InChI InChI=1S/C22H12BrN5O5/c23-14-8-6-13(7-9-14)21(29)20-19-17(10-16(27(30)31)11-18(19)28(32)33)22-25(12-24-26(20)22)15-4-2-1-3-5-15/h1-12H
InChIKey DVNSBUUANMVQFP-UHFFFAOYSA-N
Molecular Weight 506.272 g/mol
SMILES c12[n](c(c3c(cc(cc23)N(=O)=O)N(=O)=O)C(c2ccc(cc2)Br)=O)N=CN1c1ccccc1
SPLASH splash10-08fr-9403030000-195c54e34380b702d10b
Source of Spectrum H1-51-2218-7
Wiley ID 817234