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Butanoic acid, 4-[(2-bromo-4-methoxy-5-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)amino]-
SpectraBase Compound ID E3pqr0qo4DR
InChI InChI=1S/C12H14BrNO5/c1-6-10(17)9(14-5-3-4-7(15)16)8(13)11(18)12(6)19-2/h14H,3-5H2,1-2H3,(H,15,16)
InChIKey HFGXJSJGXOQTBQ-UHFFFAOYSA-N
Mol Weight 332.15 g/mol
Molecular Formula C12H14BrNO5
Exact Mass 331.005536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID diqo85G2BH
Name Butanoic acid, 4-[(2-bromo-4-methoxy-5-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)amino]-
CAS Registry Number 85083-38-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14BrNO5
InChI InChI=1S/C12H14BrNO5/c1-6-10(17)9(14-5-3-4-7(15)16)8(13)11(18)12(6)19-2/h14H,3-5H2,1-2H3,(H,15,16)
InChIKey HFGXJSJGXOQTBQ-UHFFFAOYSA-N
Molecular Weight 332.150 g/mol
SMILES N(C1=C(C(C(=C(C)C1=O)OC)=O)Br)CCCC(=O)O
SPLASH splash10-0l16-0692000000-3f1abe94bb5acaf056e5
Source of Spectrum C-105-2865-0
Synonyms 4-[(2-bromo-4-methoxy-5-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)amino]butanoic acid N-(2-bromo-6-methoxy-5-methyl-1,4-benzoquinonyl)-4-aminobutyric acid
Wiley ID 1328478