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1,2-Benzenedicarboxylic acid, 3-(2,6-dibromo-4-methylphenoxy)-6-hydroxy-, dimethyl ester
SpectraBase Compound ID AV1cHzXBHxY
InChI InChI=1S/C17H14Br2O6/c1-8-6-9(18)15(10(19)7-8)25-12-5-4-11(20)13(16(21)23-2)14(12)17(22)24-3/h4-7,20H,1-3H3
InChIKey SLOVABJYBSHGKL-UHFFFAOYSA-N
Mol Weight 474.1 g/mol
Molecular Formula C17H14Br2O6
Exact Mass 471.915714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8gP4ye3w0e
Name 1,2-Benzenedicarboxylic acid, 3-(2,6-dibromo-4-methylphenoxy)-6-hydroxy-, dimethyl ester
Alternate Name(s) Dimethyl 3-(2,6-dibromo-4-methylphenoxy)-6-hydroxyphthalate
CAS Registry Number 128885-93-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14Br2O6
InChI InChI=1S/C17H14Br2O6/c1-8-6-9(18)15(10(19)7-8)25-12-5-4-11(20)13(16(21)23-2)14(12)17(22)24-3/h4-7,20H,1-3H3
InChIKey SLOVABJYBSHGKL-UHFFFAOYSA-N
Molecular Weight 474.101 g/mol
SMILES Oc1c(c(c(Oc2c(cc(cc2Br)C)Br)cc1)C(=O)OC)C(=O)OC
SPLASH splash10-006x-0005900000-e5e84bb715529a5eb0de
Source of Spectrum KC-1990-1233-10
Wiley ID 1393207