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1H-Pyrrole-2,3,4-tricarboxylic acid, 5-(4-nitrophenyl)-, trimethyl ester
SpectraBase Compound ID 2iMcBu1vC0D
InChI InChI=1S/C16H14N2O8/c1-24-14(19)10-11(15(20)25-2)13(16(21)26-3)17-12(10)8-4-6-9(7-5-8)18(22)23/h4-7,17H,1-3H3
InChIKey ZBAVVYXLVUQSMR-UHFFFAOYSA-N
Mol Weight 362.29 g/mol
Molecular Formula C16H14N2O8
Exact Mass 362.075015 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbM5YgQf9rC
Name 1H-Pyrrole-2,3,4-tricarboxylic acid, 5-(4-nitrophenyl)-, trimethyl ester
Alternate Name(s) Trimethyl 5-(4-nitrophenyl)-1H-pyrrole-2,3,4-tricarboxylate
CAS Registry Number 89330-92-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N2O8
InChI InChI=1S/C16H14N2O8/c1-24-14(19)10-11(15(20)25-2)13(16(21)26-3)17-12(10)8-4-6-9(7-5-8)18(22)23/h4-7,17H,1-3H3
InChIKey ZBAVVYXLVUQSMR-UHFFFAOYSA-N
Molecular Weight 362.294 g/mol
SMILES [nH]1c(c(c(c1C(=O)OC)C(=O)OC)C(=O)OC)-c1ccc(N(=O)=O)cc1
SPLASH splash10-03ea-0039000000-4463fa3cb9e689c108cf
Source of Spectrum F-46-6479-9
Wiley ID 1349344