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p-[2-(5-nitro-1-vinylimidazol-2-yl)vinyl]benzoic acid, 2-piperidinoethyl ester, monohydrochloride
SpectraBase Compound ID KHvkCpe8lJM
InChI InChI=1S/C21H24N4O4.ClH/c1-2-24-19(22-16-20(24)25(27)28)11-8-17-6-9-18(10-7-17)21(26)29-15-14-23-12-4-3-5-13-23;/h2,6-11,16H,1,3-5,12-15H2;1H
InChIKey ZCZLMGSDBVAQGC-UHFFFAOYSA-N
Mol Weight 432.91 g/mol
Molecular Formula C21H25ClN4O4
Exact Mass 432.156433 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9Me0O1Dx4Pq
Name p-[2-(5-NITRO-1-VINYLIMIDAZOL-2-YL)VINYL]BENZOIC ACID, 2-PIPERIDINOETHYL ESTER, MONOHYDROCHLORIDE
Source of Sample W. J. Ross & W. B. Jamieson, Lilly Research Centre Ltd., Surrey, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25ClN4O4
InChI InChI=1S/C21H24N4O4.ClH/c1-2-24-19(22-16-20(24)25(27)28)11-8-17-6-9-18(10-7-17)21(26)29-15-14-23-12-4-3-5-13-23;/h2,6-11,16H,1,3-5,12-15H2;1H
InChIKey ZCZLMGSDBVAQGC-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 16, 347(1973)
Melting Point 230-232C (dec.)
Molecular Weight 432.904999
Synonyms BENZOIC ACID, P-/2-/5-NITRO- 1-VINYLIMIDAZOL-2-YL/VINYL/-, 2-PIPER- IDINOETHYL ESTER, MONOHYDROCHLORIDE
Technique KBr WAFER