p-[2-(5-nitro-1-vinylimidazol-2-yl)vinyl]benzoic acid, butyl ester

SpectraBase Compound ID	BNqD51P9MR1
InChI	InChI=1S/C18H19N3O4/c1-3-5-12-25-18(22)15-9-6-14(7-10-15)8-11-16-19-13-17(21(23)24)20(16)4-2/h4,6-11,13H,2-3,5,12H2,1H3
InChIKey	IKDAKWLUAPUVGI-UHFFFAOYSA-N Google Search
Mol Weight	341.37 g/mol
Molecular Formula	C18H19N3O4
Exact Mass	341.137556 g/mol

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SpectraBase Spectrum ID	4Y4U0XZFXKI
Name	p-[2-(5-NITRO-1-VINYLIMIDAZOL-2-YL)VINYL]BENZOIC ACID, BUTYL ESTER
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	C18H19N3O4
InChI	InChI=1S/C18H19N3O4/c1-3-5-12-25-18(22)15-9-6-14(7-10-15)8-11-16-19-13-17(21(23)24)20(16)4-2/h4,6-11,13H,2-3,5,12H2,1H3
InChIKey	IKDAKWLUAPUVGI-UHFFFAOYSA-N
Literature Reference	J. MED. CHEM. 16, 347(1973)
Melting Point	104-105C
Molecular Weight	341.367004
Synonyms	BENZOIC ACID, P-/2-/5-NITRO- 1-VINYLIMIDAZOL-2-YL/VINYL/-, BUTYL ESTER
Technique	KBr WAFER