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(3-chlorophenyl) 4-cyanobenzoate
SpectraBase Compound ID 9uhX3wd42Yl
InChI InChI=1S/C14H8ClNO2/c15-12-2-1-3-13(8-12)18-14(17)11-6-4-10(9-16)5-7-11/h1-8H
InChIKey VQLVUTBWNXYCLX-UHFFFAOYSA-N
Mol Weight 257.68 g/mol
Molecular Formula C14H8ClNO2
Exact Mass 257.024356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVz3e454WH
Name (3-chlorophenyl) 4-cyanobenzoate
CAS Registry Number 53327-09-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8ClNO2
InChI InChI=1S/C14H8ClNO2/c15-12-2-1-3-13(8-12)18-14(17)11-6-4-10(9-16)5-7-11/h1-8H
InChIKey VQLVUTBWNXYCLX-UHFFFAOYSA-N
Molecular Weight 257.676 g/mol
SMILES C(Oc1cc(Cl)ccc1)(c1ccc(C#N)cc1)=O
SPLASH splash10-0kdi-0940000000-652f8edb2aa7ffdc96fc
Source of Spectrum W5-22765-0-0
Synonyms 4-cyanobenzoic acid (3-chlorophenyl) ester
Wiley ID 1260736