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1-[10-(2-carboxy-4-nitro-1-pyrrolyl)decyl]-4-nitro-2-pyrrolecarboxylic acid
SpectraBase Compound ID KXNKVF5uVyO
InChI InChI=1S/C20H26N4O8/c25-19(26)17-11-15(23(29)30)13-21(17)9-7-5-3-1-2-4-6-8-10-22-14-16(24(31)32)12-18(22)20(27)28/h11-14H,1-10H2,(H,25,26)(H,27,28)
InChIKey BKIIJOPPCIQBHE-UHFFFAOYSA-N
Mol Weight 450.45 g/mol
Molecular Formula C20H26N4O8
Exact Mass 450.175064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BamYA8ufI
Name 1-[10-(2-carboxy-4-nitro-1-pyrrolyl)decyl]-4-nitro-2-pyrrolecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26N4O8
InChI InChI=1S/C20H26N4O8/c25-19(26)17-11-15(23(29)30)13-21(17)9-7-5-3-1-2-4-6-8-10-22-14-16(24(31)32)12-18(22)20(27)28/h11-14H,1-10H2,(H,25,26)(H,27,28)
InChIKey BKIIJOPPCIQBHE-UHFFFAOYSA-N
Molecular Weight 450.448 g/mol
SMILES OC(c1cc(c[n]1CCCCCCCCCC[n]1cc(cc1C(=O)O)N(=O)=O)N(=O)=O)=O
SPLASH splash10-00gi-2900000000-2d3104da23d583241557
Source of Spectrum H1-41-1701-16
Synonyms 1-[10-(2-carboxy-4-nitro-pyrrol-1-yl)decyl]-4-nitro-pyrrole-2-carboxylic acid
Wiley ID 757281