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4-Chloro-3-nitrobenzonitrile
SpectraBase Compound ID KWx61bhnWbH
InChI InChI=1S/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H
InChIKey XBLPHYSLHRGMNW-UHFFFAOYSA-N
Mol Weight 182.57 g/mol
Molecular Formula C7H3ClN2O2
Exact Mass 181.988305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eh1ZlzkCl7u
Name 4-Chloro-3-nitrobenzonitrile
Alternate Name(s) 4-Chlor-3-nitrobenzonitril 4-Chloranyl-3-nitro-benzenecarbonitrile 4-Chloro-3-nitro-benzonitrile Benzonitrile, 4-chloro-3-nitro- BRN 1639111 EINECS 213-364-2
CAS Registry Number 939-80-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3ClN2O2
InChI InChI=1S/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H
InChIKey XBLPHYSLHRGMNW-UHFFFAOYSA-N
Molecular Weight 182.566 g/mol
SMILES c1c(C#N)cc(N(=O)=O)c(c1)Cl
SPLASH splash10-0uxr-0900000000-ce93afabb0bc40083100
Source of Spectrum SK-28-4298-0
Wiley ID 880211