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5-Nitroisophthalic acid
SpectraBase Compound ID 10Rkw3lKqns
InChI InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
InChIKey NBDAHKQJXVLAID-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 COpqiCRYVTn
Name 1,3-Benzenedicarboxylic acid, 5-nitro-
CAS Registry Number 618-88-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5NO6
InChI InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
InChIKey NBDAHKQJXVLAID-UHFFFAOYSA-N
Molecular Weight 211.129 g/mol
SMILES OC(c1cc(C(O)=O)cc(c1)[N+]([O-])=O)=O
SPLASH splash10-02u0-9530000000-06ff240b1bb10952296e
Source of Spectrum JX-2015-0-60
Synonyms 1-Nitrobenzene-3,5-dicarboxylic acid 5-Nitro-1,3-benzenedicarboxylic acid 5-Nitroisophthalic acid 5-Nitro-m-phthalic acid 5-Nitrobenzene-1,3-dicarboxylic acid Isophthalic acid, 5-nitro- EINECS 210-568-3 NSC 66545
Wiley ID 1720051