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1-Tris[N-(4-carboxyphenyl)carboxamido]-3-nitrobenzene
SpectraBase Compound ID FFiz2SofGPh
InChI InChI=1S/C35H25N5O8/c41-31(36-26-12-4-21(5-13-26)32(42)37-28-16-8-24(9-17-28)35(45)46)22-6-14-27(15-7-22)38-34(44)25-2-1-3-29(20-25)39-33(43)23-10-18-30(19-11-23)40(47)48/h1-20H,(H,36,41)(H,37,42)(H,38,44)(H,39,43)(H,45,46)
InChIKey PDKGNRFJRYUBHA-UHFFFAOYSA-N
Mol Weight 643.6 g/mol
Molecular Formula C35H25N5O8
Exact Mass 643.170313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMCfI0353sQ
Name 1-Tris[N-(4-carboxyphenyl)carboxamido]-3-nitrobenzene
Alternate Name(s) 1-Tris[N-(4-carboxyphenyl)carboxamido]-4-nitrobenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H25N5O8
InChI InChI=1S/C35H25N5O8/c41-31(36-26-12-4-21(5-13-26)32(42)37-28-16-8-24(9-17-28)35(45)46)22-6-14-27(15-7-22)38-34(44)25-2-1-3-29(20-25)39-33(43)23-10-18-30(19-11-23)40(47)48/h1-20H,(H,36,41)(H,37,42)(H,38,44)(H,39,43)(H,45,46)
InChIKey PDKGNRFJRYUBHA-UHFFFAOYSA-N
Molecular Weight 643.612 g/mol
SMILES N(c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1)C(c1ccc(cc1)NC(c1cc(ccc1)NC(c1ccc(N(=O)=O)cc1)=O)=O)=O
SPLASH splash10-00di-0910000000-52ac552b6adc7428db6c
Source of Spectrum C3-24-45-35
Wiley ID 879812