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(2,6-dibromo-4-cyano-phenyl) heptanoate

View entire compound with spectra: 2 MS (GC)

(2,6-dibromo-4-cyano-phenyl) heptanoate
SpectraBase Compound ID 5EKWbDkie1A
InChI InChI=1S/C14H15Br2NO2/c1-2-3-4-5-6-13(18)19-14-11(15)7-10(9-17)8-12(14)16/h7-8H,2-6H2,1H3
InChIKey BHZWBQPHPLFZSV-UHFFFAOYSA-N
Mol Weight 389.09 g/mol
Molecular Formula C14H15Br2NO2
Exact Mass 386.946955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8SsligcIvAn
Name (2,6-dibromo-4-cyano-phenyl) heptanoate
Alternate Name(s) enanthic acid (2,6-dibromo-4-cyano-phenyl) ester Heptanoic acid (2,6-dibromo-4-cyanophenyl) ester (2,6-dibromo-4-cyanophenyl) heptanoate
CAS Registry Number 56634-95-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15Br2NO2
InChI InChI=1S/C14H15Br2NO2/c1-2-3-4-5-6-13(18)19-14-11(15)7-10(9-17)8-12(14)16/h7-8H,2-6H2,1H3
InChIKey BHZWBQPHPLFZSV-UHFFFAOYSA-N
Molecular Weight 389.087 g/mol
SMILES c1(cc(c(c(c1)Br)OC(=O)CCCCCC)Br)C#N
SPLASH splash10-03dl-9500000000-683d3712d227bd991caa
Wiley ID 1472313