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3-Amino-1,4-diphenyl-2-triphenylenecarboxylic acid
SpectraBase Compound ID DUnketkyaNN
InChI InChI=1S/C31H21NO2/c32-30-26(20-13-5-2-6-14-20)28-24-18-10-8-16-22(24)21-15-7-9-17-23(21)27(28)25(29(30)31(33)34)19-11-3-1-4-12-19/h1-18H,32H2,(H,33,34)
InChIKey FGNMWPXHCVITJS-UHFFFAOYSA-N
Mol Weight 439.51 g/mol
Molecular Formula C31H21NO2
Exact Mass 439.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEpMzDn0jHk
Name 3-Amino-1,4-diphenyl-2-triphenylenecarboxylic acid
Alternate Name(s) 3-Amino-1,4-diphenyltriphenylene-2-carboxylic acid 3-Azanyl-1,4-diphenyl-triphenylene-2-carboxylic acid
CAS Registry Number 125229-54-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H21NO2
InChI InChI=1S/C31H21NO2/c32-30-26(20-13-5-2-6-14-20)28-24-18-10-8-16-22(24)21-15-7-9-17-23(21)27(28)25(29(30)31(33)34)19-11-3-1-4-12-19/h1-18H,32H2,(H,33,34)
InChIKey FGNMWPXHCVITJS-UHFFFAOYSA-N
Molecular Weight 439.514 g/mol
SMILES Nc1c(c2c3c(c4c(c2c(c1C(=O)O)-c1ccccc1)cccc4)cccc3)-c1ccccc1
SPLASH splash10-0016-6309800000-2407e8467d74e3f5cd32
Source of Spectrum J-55-1940-7
Wiley ID 1384492