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1H-Pyrrole-3,4-dicarboxylic acid, 2-phenyl-
SpectraBase Compound ID 9HhTHDHfvSi
InChI InChI=1S/C12H9NO4/c14-11(15)8-6-13-10(9(8)12(16)17)7-4-2-1-3-5-7/h1-6,13H,(H,14,15)(H,16,17)
InChIKey FXPLEMKETSJBFT-UHFFFAOYSA-N
Mol Weight 231.21 g/mol
Molecular Formula C12H9NO4
Exact Mass 231.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2Y4BvSLsdK
Name 1H-Pyrrole-3,4-dicarboxylic acid, 2-phenyl-
CAS Registry Number 69640-26-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9NO4
InChI InChI=1S/C12H9NO4/c14-11(15)8-6-13-10(9(8)12(16)17)7-4-2-1-3-5-7/h1-6,13H,(H,14,15)(H,16,17)
InChIKey FXPLEMKETSJBFT-UHFFFAOYSA-N
Molecular Weight 231.207 g/mol
SMILES [nH]1cc(c(C(=O)O)c1-c1ccccc1)C(=O)O
SPLASH splash10-000o-9900000000-5bbd690dee90a244af95
Source of Spectrum KC-1978-1593-0
Synonyms 2-Phenyl-1H-pyrrole-3,4-dicarboxylic acid 2-Phenylpyrrole-3,4-dicarboxylic acid
Wiley ID 1232641