1-{{p-[2-(5-NITRO-1-VINYLIMIDAZOL-2-YL)VINYL]BENZYLIDENE}AMINO}HYDANTOIN, HEMIHYDRATE

SpectraBase Compound ID	ItXxlRBgYZc
InChI	InChI=1S/2C17H14N6O4.H2O/c21-2-21-14(18-10-16(21)23(26)27)8-7-12-3-5-13(6-4-12)9-19-22-11-15(24)20-17(22)25;/h22-10H,1,11H2,(H,20,24,25);1H2/b2*8-7?,19-9+;
InChIKey	GRUOIOGNTSZJGG-YNUQWTFVSA-N Google Search
Mol Weight	375.34 g/mol
Molecular Formula	C17H14N6O4·½H2O
Exact Mass	375.112935 g/mol

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SpectraBase Spectrum ID	7itFPdt9DL7
Name	1-{{p-[2-(5-NITRO-1-VINYLIMIDAZOL-2-YL)VINYL]BENZYLIDENE}AMINO}HYDANTOIN, HEMIHYDRATE
Source of Sample	W. Ross & W. Jamieson, Lilly Research Centre Ltd., Windlesham, Surrey, England
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C34H30N12O9
InChI	InChI=1S/2C17H14N6O4.H2O/c21-2-21-14(18-10-16(21)23(26)27)8-7-12-3-5-13(6-4-12)9-19-22-11-15(24)20-17(22)25;/h22-10H,1,11H2,(H,20,24,25);1H2/b2*8-7?,19-9+;
InChIKey	GRUOIOGNTSZJGG-YNUQWTFVSA-N
Literature Reference	J. MED. CHEM. 18, 158(1975)
Melting Point	283-284C (dec.)
Molecular Weight	750.689026
Synonyms	HYDANTOIN, 1-//P-/2-/5-NITRO- 1-VINYLIMIDAZOL-2-YL/VINYL/BENZYL- IDENE/AMINO/-, HEMIHYDRATE
Technique	KBr WAFER