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1,4-Benzenediacetic acid, .alpha.,.alpha.'-dibromo-, (R*,R*)-(.+-.)-
SpectraBase Compound ID 4gC4P3nq4a8
InChI InChI=1S/C10H8Br2O4/c11-7(9(13)14)5-1-2-6(4-3-5)8(12)10(15)16/h1-4,7-8H,(H,13,14)(H,15,16)/t7-,8-/m1/s1
InChIKey WQUFFTSPXKLFGC-HTQZYQBOSA-N
Mol Weight 351.98 g/mol
Molecular Formula C10H8Br2O4
Exact Mass 349.878935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHi85yXE3ub
Name 1,4-Benzenediacetic acid, .alpha.,.alpha.'-dibromo-, (R*,R*)-(.+-.)-
Alternate Name(s) (2R)-bromo{4-[(R)-bromo(carboxy)methyl]phenyl}ethanoic acid D,l-1,4-phenylene-bis(bromoacetic acid)
CAS Registry Number 106064-64-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8Br2O4
InChI InChI=1S/C10H8Br2O4/c11-7(9(13)14)5-1-2-6(4-3-5)8(12)10(15)16/h1-4,7-8H,(H,13,14)(H,15,16)/t7-,8-/m1/s1
InChIKey WQUFFTSPXKLFGC-HTQZYQBOSA-N
Molecular Weight 351.978 g/mol
SMILES OC([C@@](c1ccc([C@](C(=O)O)(Br)[H])cc1)(Br)[H])=O
SPLASH splash10-008c-9750000000-bd0cbdf20bdefa241bcc
Source of Spectrum K-120-416-3
Wiley ID 1341583