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2,5-Cyclohexadien-1-one, 2-hydroxy-4-[(2-hydroxy-5-methylphenyl)imino]-5-methyl-
SpectraBase Compound ID 8dBUaggH8vj
InChI InChI=1S/C14H13NO3/c1-8-3-4-12(16)11(5-8)15-10-7-14(18)13(17)6-9(10)2/h3-7,16,18H,1-2H3/b15-10+
InChIKey IPVGOMRPCKSKEJ-XNTDXEJSSA-N
Mol Weight 243.26 g/mol
Molecular Formula C14H13NO3
Exact Mass 243.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ahsipqd3U8p
Name 2,5-Cyclohexadien-1-one, 2-hydroxy-4-[(2-hydroxy-5-methylphenyl)imino]-5-methyl-
Alternate Name(s) (4E)-2-hydroxy-4-[(2-hydroxy-5-methylphenyl)imino]-5-methyl-2,5-cyclohexadien-1-one 2-Hydroxy-5-methyl-n(2'-hydroxy-5'-methylphenyl)benzoquinone monoimine
CAS Registry Number 125709-91-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO3
InChI InChI=1S/C14H13NO3/c1-8-3-4-12(16)11(5-8)15-10-7-14(18)13(17)6-9(10)2/h3-7,16,18H,1-2H3/b15-10+
InChIKey IPVGOMRPCKSKEJ-XNTDXEJSSA-N
Molecular Weight 243.262 g/mol
SMILES OC1=C\C(=N/c2c(ccc(c2)C)O)C(=CC1=O)C
SPLASH splash10-0007-0090000000-f12d5a098a4122af3427
Source of Spectrum Y-26-1085-2
Wiley ID 1246092