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4''-Nitrotris(N-methylpyrrole)-2-carboxyloic acid
SpectraBase Compound ID A8GjKOtAYy7
InChI InChI=1S/C18H18N6O6/c1-21-7-10(19-17(26)14-6-12(24(29)30)9-23(14)3)4-13(21)16(25)20-11-5-15(18(27)28)22(2)8-11/h4-9H,1-3H3,(H,19,26)(H,20,25)(H,27,28)
InChIKey QGBSUPQOOBPONH-UHFFFAOYSA-N
Mol Weight 414.38 g/mol
Molecular Formula C18H18N6O6
Exact Mass 414.128782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GkNkTF4YzV2
Name 4''-Nitrotris(N-methylpyrrole)-2-carboxyloic acid
CAS Registry Number 67974-03-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N6O6
InChI InChI=1S/C18H18N6O6/c1-21-7-10(19-17(26)14-6-12(24(29)30)9-23(14)3)4-13(21)16(25)20-11-5-15(18(27)28)22(2)8-11/h4-9H,1-3H3,(H,19,26)(H,20,25)(H,27,28)
InChIKey QGBSUPQOOBPONH-UHFFFAOYSA-N
Molecular Weight 414.378 g/mol
SMILES N(c1cc(C(Nc2cc(C(=O)O)[n](c2)C)=O)[n](c1)C)C(c1cc(N(=O)=O)c[n]1C)=O
SPLASH splash10-00b9-0098100000-dcdf90fb39e0b69f8ffd
Source of Spectrum F-34-2390-0
Synonyms 1-Methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrole-2-carboxylic acid 1-Methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid 1-Methyl-4-[[[1-methyl-4-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-2-pyrrolyl]-oxomethyl]amino]-2-pyrrolecarboxylic acid 1-Methyl-4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid
Wiley ID 1375191