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3-Nitrophthalic acid
SpectraBase Compound ID 7bu5sjHsA21
InChI InChI=1S/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey KFIRODWJCYBBHY-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 B66PI1FY1ES
Name 1,2-Benzenedicarboxylic acid, 3-nitro-
CAS Registry Number 603-11-2
Comments Removed - expert review: contamination (DOP)
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(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey KFIRODWJCYBBHY-UHFFFAOYSA-N
Molecular Weight 211.129 g/mol
SMILES OC(c1c(C(=O)O)cccc1N(=O)=O)=O
SPLASH splash10-0002-7900000000-a9cb6572bc797fced10a
Source of Spectrum W5-17091-0-0
Synonyms 3-Nitrophthalic acid m-Nitrophthalic acid Phthalic acid, 3-nitro- AI3-02074 EINECS 210-030-8 NSC 3120
Wiley ID 1210128