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D,L-4,4,-biphenylylene-bis[bromoacetic acid]
SpectraBase Compound ID 2qb77OFn51k
InChI InChI=1S/C16H12Br2O4/c17-13(15(19)20)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(18)16(21)22/h1-8,13-14H,(H,19,20)(H,21,22)
InChIKey KNBCDEOXOZGQER-UHFFFAOYSA-N
Mol Weight 428.08 g/mol
Molecular Formula C16H12Br2O4
Exact Mass 425.910235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFRCDmxkD5P
Name D,L-4,4,-biphenylylene-bis[bromoacetic acid]
Alternate Name(s) bromo{4'-[bromo(carboxy)methyl][1,1'-biphenyl]-4-yl}acetic acid
CAS Registry Number 106064-66-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12Br2O4
InChI InChI=1S/C16H12Br2O4/c17-13(15(19)20)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(18)16(21)22/h1-8,13-14H,(H,19,20)(H,21,22)
InChIKey KNBCDEOXOZGQER-UHFFFAOYSA-N
Molecular Weight 428.076 g/mol
SMILES OC(C(c1ccc(-c2ccc(C(C(=O)O)Br)cc2)cc1)Br)=O
SPLASH splash10-001i-9001000000-d90c059dccc202b19f70
Source of Spectrum K-120-416-15
Wiley ID 1379775