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4,6-bis(bromomethyl)benzene-1,3-dicarboxylic acid diethyl ester
SpectraBase Compound ID L85nkOE1bY0
InChI InChI=1S/C14H16Br2O4/c1-3-19-13(17)11-6-12(14(18)20-4-2)10(8-16)5-9(11)7-15/h5-6H,3-4,7-8H2,1-2H3
InChIKey XHUVTUVNEZGRPO-UHFFFAOYSA-N
Mol Weight 408.09 g/mol
Molecular Formula C14H16Br2O4
Exact Mass 405.941535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZiaJBHxVk1
Name 4,6-bis(bromomethyl)benzene-1,3-dicarboxylic acid diethyl ester
Alternate Name(s) Diethyl 4,6-bis(bromomethyl)isophthalate
CAS Registry Number 140410-08-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16Br2O4
InChI InChI=1S/C14H16Br2O4/c1-3-19-13(17)11-6-12(14(18)20-4-2)10(8-16)5-9(11)7-15/h5-6H,3-4,7-8H2,1-2H3
InChIKey XHUVTUVNEZGRPO-UHFFFAOYSA-N
Molecular Weight 408.086 g/mol
SMILES c1(cc(C(=O)OCC)c(cc1CBr)CBr)C(=O)OCC
SPLASH splash10-0002-0092100000-f6570a1ce4159f89c483
Source of Spectrum K-125-1884-11
Wiley ID 1371905