{5-[(6-chlorothymyl)oxy]pentyl}dimethyl(5-nitrofurfuryl)ammonium bromide

SpectraBase Compound ID	FfqCXfZ8Cgk
InChI	InChI=1S/C22H32ClN2O4.BrH/c1-16(2)19-14-20(23)17(3)13-21(19)28-12-8-6-7-11-25(4,5)15-18-9-10-22(29-18)24(26)27;/h9-10,13-14,16H,6-8,11-12,15H2,1-5H3;1H/q+1;/p-1
InChIKey	JMXPXEMJNXHDFH-UHFFFAOYSA-M Google Search
Mol Weight	503.9 g/mol
Molecular Formula	C22H32BrClN2O4
Exact Mass	502.123398 g/mol

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SpectraBase Spectrum ID	675OyJpAdn0
Name	{5-[(4-CHLOROTHYMYL)OXY]PENTYL}DIMETHYL(5-NITROFURFURYL)AMMONIUM BROMIDE
Source of Sample	D. R. Shridhar, Idpl Research Centre, Hyderabad, India
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H32BrClN2O4
InChI	InChI=1S/C22H32ClN2O4.BrH/c1-16(2)19-14-20(23)17(3)13-21(19)28-12-8-6-7-11-25(4,5)15-18-9-10-22(29-18)24(26)27;/h9-10,13-14,16H,6-8,11-12,15H2,1-5H3;1H/q+1;/p-1
InChIKey	JMXPXEMJNXHDFH-UHFFFAOYSA-M
Literature Reference	J. MED. CHEM. 20, 149(1977) Abstract-Chemical Abstracts= 86, 25845(1977)
Melting Point	168-170C
Molecular Weight	503.868011
Synonyms	AMMONIUM BROMIDE, /5-//4-CHLORO- THYMYL/OXY/PENTYL/DIMETHYL/5-NITRO- FURFURYL/-,
Technique	KBr WAFER