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2-nitroisophthalic acid
SpectraBase Compound ID 1OeUzENkUu4
InChI InChI=1S/C8H5NO6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)
InChIKey CAHWDGJDQYAFHM-UHFFFAOYSA-N
Mol Weight 211.13 g/mol
Molecular Formula C8H5NO6
Exact Mass 211.011687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUesmH1i0Lv
Name 1,3-Benzenedicarboxylic acid, 2-nitro-
CAS Registry Number 21161-11-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5NO6
InChI InChI=1S/C8H5NO6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)
InChIKey CAHWDGJDQYAFHM-UHFFFAOYSA-N
Molecular Weight 211.129 g/mol
SMILES OC(c1c(c(C(=O)O)ccc1)N(=O)=O)=O
SPLASH splash10-00l5-9400000000-8698940bbd4dd55f9302
Synonyms 2-Nitrobenzene-1,3-dicarboxylic acid 2-Nitroisophthalic acid
Wiley ID 1474500