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2-Hexenoic acid, 5-bromo-4-hydroxy-, [R*,S*-(E)]-(.+-.)-
SpectraBase Compound ID By0sgBWYJia
InChI InChI=1S/C6H9BrO3/c1-4(7)5(8)2-3-6(9)10/h2-5,8H,1H3,(H,9,10)/b3-2+/t4-,5+/m1/s1
InChIKey BVOWDJFQLQCSQU-ZRUBAPSRSA-N
Mol Weight 209.04 g/mol
Molecular Formula C6H9BrO3
Exact Mass 207.973507 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77mR6BGsZaS
Name 2-Hexenoic acid, 5-bromo-4-hydroxy-, [R*,S*-(E)]-(.+-.)-
CAS Registry Number 128455-67-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9BrO3
InChI InChI=1S/C6H9BrO3/c1-4(7)5(8)2-3-6(9)10/h2-5,8H,1H3,(H,9,10)/b3-2+/t4-,5+/m1/s1
InChIKey BVOWDJFQLQCSQU-ZRUBAPSRSA-N
Molecular Weight 209.039 g/mol
SMILES OC(\C=C\[C@@]([C@](Br)(C)[H])(O)[H])=O
SPLASH splash10-067i-9600000000-b524ec45548c1927578a
Source of Spectrum Y-27-186-6
Synonyms (2E,4S,5R)-5-bromo-4-hydroxy-2-hexenoic acid (E)-(4RS,5SR)-5-bromo-4-hydroxy-2-hexenoic acid Methyl (E)-(4RS,5SR)-5-bromo-4-hydroxy-2-hexenoate
Wiley ID 1206110