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2,5-Cyclohexadien-1-one, 3,6-dihydroxy-2-methyl-4-(methyl-aci-nitro)-
SpectraBase Compound ID L1ETUi4F21Y
InChI InChI=1S/C8H9NO5/c1-4-7(11)5(9(13)14-2)3-6(10)8(4)12/h3,10-11H,1-2H3/b9-5-
InChIKey RUHASSAGIJMCRJ-UITAMQMPSA-N
Mol Weight 199.16 g/mol
Molecular Formula C8H9NO5
Exact Mass 199.048072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Hp9ikBRb4R
Name 2,5-Cyclohexadien-1-one, 3,6-dihydroxy-2-methyl-4-(methyl-aci-nitro)-
CAS Registry Number 118824-95-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO5
InChI InChI=1S/C8H9NO5/c1-4-7(11)5(9(13)14-2)3-6(10)8(4)12/h3,10-11H,1-2H3/b9-5-
InChIKey RUHASSAGIJMCRJ-UITAMQMPSA-N
Molecular Weight 199.162 g/mol
SMILES OC1=C\C(C(=C(C1=O)C)O)=[N+]\([O-])OC
SPLASH splash10-014i-0900000000-6b00665219141e329e07
Source of Spectrum KC-1988-1825-7
Synonyms (4Z)-3,6-dihydroxy-4-[methoxy(oxido)imino]-2-methyl-2,5-cyclohexadien-1-one (E)-3,6-Dihydroxy-2-methyl-1,4-benzoquinone-4-methoxyimine-N-oxide
Wiley ID 1196493