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(2,4-Dinitrophenyl)acetic acid
SpectraBase Compound ID 6TsBSPt5zGU
InChI InChI=1S/C8H6N2O6/c11-8(12)3-5-1-2-6(9(13)14)4-7(5)10(15)16/h1-2,4H,3H2,(H,11,12)
InChIKey KCNISYPADDTFDO-UHFFFAOYSA-N
Mol Weight 226.14 g/mol
Molecular Formula C8H6N2O6
Exact Mass 226.022586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XSvrungxxA
Name (2,4-Dinitrophenyl)acetic acid
Alternate Name(s) 2-(2,4-dinitrophenyl)acetic acid 2-(2,4-dinitrophenyl)ethanoic acid
CAS Registry Number 643-43-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O6
InChI InChI=1S/C8H6N2O6/c11-8(12)3-5-1-2-6(9(13)14)4-7(5)10(15)16/h1-2,4H,3H2,(H,11,12)
InChIKey KCNISYPADDTFDO-UHFFFAOYSA-N
Molecular Weight 226.144 g/mol
SMILES OC(Cc1c(N(=O)=O)cc(cc1)N(=O)=O)=O
SPLASH splash10-014r-9500000000-21433b37332a64c021d6
Source of Spectrum W5-19237-0-0
Wiley ID 1226759