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1,4-Benzenediacetic acid, .alpha.,.alpha.'-dihydroxy-, (R*,R*)-(.+-.)-
SpectraBase Compound ID BwO8xuZhu5O
InChI InChI=1S/C10H10O6/c11-7(9(13)14)5-1-2-6(4-3-5)8(12)10(15)16/h1-4,7-8,11-12H,(H,13,14)(H,15,16)/t7-,8-/m1/s1
InChIKey FKLAJCGHOJXZRK-HTQZYQBOSA-N
Mol Weight 226.18 g/mol
Molecular Formula C10H10O6
Exact Mass 226.047738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2epGcAXl4fM
Name 1,4-Benzenediacetic acid, .alpha.,.alpha.'-dihydroxy-, (R*,R*)-(.+-.)-
Alternate Name(s) (2R)-{4-[(R)-carboxy(hydroxy)methyl]phenyl}(hydroxy)ethanoic acid D,l-1,4-phenylene-bis(hydroxyacetic acid)
CAS Registry Number 106064-63-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O6
InChI InChI=1S/C10H10O6/c11-7(9(13)14)5-1-2-6(4-3-5)8(12)10(15)16/h1-4,7-8,11-12H,(H,13,14)(H,15,16)/t7-,8-/m1/s1
InChIKey FKLAJCGHOJXZRK-HTQZYQBOSA-N
Molecular Weight 226.184 g/mol
SMILES OC([C@@](c1ccc([C@](C(=O)O)(O)[H])cc1)(O)[H])=O
SPLASH splash10-001i-0900000000-8971535d862aba9059bf
Source of Spectrum K-120-415-2
Wiley ID 1226905