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2,5-Cyclohexadiene-1-acetamide, 3-bromo-5-chloro-1-hydroxy-4-oxo-, (.+-.)-
SpectraBase Compound ID Irgq2VVn5xL
InChI InChI=1S/C8H7BrClNO3/c9-4-1-8(14,3-6(11)12)2-5(10)7(4)13/h1-2,14H,3H2,(H2,11,12)
InChIKey WEGHCYCIGZFPLF-UHFFFAOYSA-N
Mol Weight 280.5 g/mol
Molecular Formula C8H7BrClNO3
Exact Mass 278.929784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCZNKZHLlU7
Name 2,5-Cyclohexadiene-1-acetamide, 3-bromo-5-chloro-1-hydroxy-4-oxo-, (.+-.)-
Alternate Name(s) (+-)-3-bromo-5-chloro-1-hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide (+-)-3-bromo-5-chloroverongiaquinol 2-(3-bromo-5-chloro-1-hydroxy-4-oxo-2,5-cyclohexadien-1-yl)acetamide
CAS Registry Number 93245-84-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7BrClNO3
InChI InChI=1S/C8H7BrClNO3/c9-4-1-8(14,3-6(11)12)2-5(10)7(4)13/h1-2,14H,3H2,(H2,11,12)
InChIKey WEGHCYCIGZFPLF-UHFFFAOYSA-N
Molecular Weight 280.505 g/mol
SMILES NC(CC1(C=C(C(C(=C1)Br)=O)Cl)O)=O
SPLASH splash10-0udi-7090000000-a85c11e700d92657123b
Source of Spectrum H-67-1490-0
Wiley ID 1282694