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p-(3,5-diamino-1H-1,2,4-triazol-1-yl)benzoic acid, ethyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 UV-Vis

p-(3,5-diamino-1H-1,2,4-triazol-1-yl)benzoic acid, ethyl ester
SpectraBase Compound ID FP6BWDGWhZK
InChI InChI=1S/C11H13N5O2/c1-2-18-9(17)7-3-5-8(6-4-7)16-11(13)14-10(12)15-16/h3-6H,2H2,1H3,(H4,12,13,14,15)
InChIKey CPWUDSKCIUHCJM-UHFFFAOYSA-N
Mol Weight 247.26 g/mol
Molecular Formula C11H13N5O2
Exact Mass 247.106925 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID IJNsup6ity4
Name p-(3,5-DIAMINO-1H-1,2,4-TRIAZOL-1-YL)BENZOIC ACID, ETHYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S51744
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N5O2
InChI InChI=1S/C11H13N5O2/c1-2-18-9(17)7-3-5-8(6-4-7)16-11(13)14-10(12)15-16/h3-6H,2H2,1H3,(H4,12,13,14,15)
InChIKey CPWUDSKCIUHCJM-UHFFFAOYSA-N
Molecular Weight 247.257996
Synonyms BENZOIC ACID, P-/3,5-DIAMINO- 1H-1,2,4-TRIAZOL-1-YL/-, ETHYL ESTER
Technique KBr WAFER