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1,1'-(1,8-Naphthylene)bis(1H-1,2,3-triazole-4-carboxylic acid)
SpectraBase Compound ID 83qFDB2Z7zZ
InChI InChI=1S/C16H10N6O4/c23-15(24)10-7-21(19-17-10)12-5-1-3-9-4-2-6-13(14(9)12)22-8-11(16(25)26)18-20-22/h1-8H,(H,23,24)(H,25,26)
InChIKey CTJMTPHWSWQPQM-UHFFFAOYSA-N
Mol Weight 350.29 g/mol
Molecular Formula C16H10N6O4
Exact Mass 350.076353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zTO70zbYcF
Name 1,1'-(1,8-Naphthylene)bis(1H-1,2,3-triazole-4-carboxylic acid)
Alternate Name(s) 1-(4-Carboxy-1H-1,2,3-triazol-1-yl)-8-(5-carboxy-1H-1,2,3-triazol-1-yl)naphthalene 1-[8-(4-carboxy-1,2,3-triazol-1-yl)naphthalen-1-yl]-1,2,3-triazole-4-carboxylic acid 1-[8-(4-carboxy-1-triazolyl)-1-naphthalenyl]-4-triazolecarboxylic acid 1-[8-(4-carboxytriazol-1-yl)-1-naphthyl]triazole-4-carboxylic acid 1-[8-(4-carboxytriazol-1-yl)naphthalen-1-yl]triazole-4-carboxylic acid
CAS Registry Number 113423-88-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10N6O4
InChI InChI=1S/C16H10N6O4/c23-15(24)10-7-21(19-17-10)12-5-1-3-9-4-2-6-13(14(9)12)22-8-11(16(25)26)18-20-22/h1-8H,(H,23,24)(H,25,26)
InChIKey CTJMTPHWSWQPQM-UHFFFAOYSA-N
Molecular Weight 350.294 g/mol
SMILES OC(c1c[n](-c2cccc3cccc(-[n]4cc(C(O)=O)nn4)c23)nn1)=O
SPLASH splash10-0a4i-3190000000-2d868f38c19284a6e224
Source of Spectrum AJ-60-2932-1
Wiley ID 1341737