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4-Chloro-3,5-dinitrobenzonitrile

View entire compound with spectra: 1 NMR, 6 FTIR, 1 Raman, and 1 MS (GC)

4-Chloro-3,5-dinitrobenzonitrile
SpectraBase Compound ID LMsWsiJ1cjZ
InChI InChI=1S/C7H2ClN3O4/c8-7-5(10(12)13)1-4(3-9)2-6(7)11(14)15/h1-2H
InChIKey SCGDEDHSPCXGEC-UHFFFAOYSA-N
Mol Weight 227.56 g/mol
Molecular Formula C7H2ClN3O4
Exact Mass 226.973383 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Yj1nAB23wM
Name 3,5-Dinitro-4-chlorobenzonitrile
CAS Registry Number 1930-72-9
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H2ClN3O4
InChI InChI=1S/C7H2ClN3O4/c8-7-5(10(12)13)1-4(3-9)2-6(7)11(14)15/h1-2H
InChIKey SCGDEDHSPCXGEC-UHFFFAOYSA-N
Instrument Name Bruker IFS 85
Purity slightly contaminated
Synonyms 4-Chloro-3,5-dinitrobenzenenitrile 4-Chloro-3,5-dinitrobenzonitrile Benzonitrile, 4-chloro-3,5-dinitro-
Technique KBr-Pellet