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2,4-Dichloro-3-(cyclopropanecarbonyl)benzonitrile
SpectraBase Compound ID BpxKByYv0tg
InChI InChI=1S/C11H7Cl2NO/c12-8-4-3-7(5-14)10(13)9(8)11(15)6-1-2-6/h3-4,6H,1-2H2
InChIKey FLUOFLXDYZUWST-UHFFFAOYSA-N
Mol Weight 240.09 g/mol
Molecular Formula C11H7Cl2NO
Exact Mass 238.990469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTFn2WHinBn
Name 2,4-Dichloro-3-(cyclopropanecarbonyl)benzonitrile
Appearance Colorless oil
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Exact Mass 238.990469248 u
Formula C11H7Cl2NO
InChI InChI=1S/C11H7Cl2NO/c12-8-4-3-7(5-14)10(13)9(8)11(15)6-1-2-6/h3-4,6H,1-2H2
InChIKey FLUOFLXDYZUWST-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201508719
Molecular Weight 240.089 g/mol
Quality 773
Reported Formula C11H7Cl2NO
SMILES C1(Cl)=C(C(=C(C=C1)C#N)Cl)C(=O)C1CC1
SPLASH splash10-0f6t-2970000000-13d2201e5cb1abeaa00e
Source of Spectrum ACI-55-SM20-19c (DOI: 10.1002/anie.201508719)
Wiley ID 1895094