4-{2-[(p-chlorophenethyl)methylamino]ethyl}pyrocatechol, fumarate

SpectraBase Compound ID	6vU9bMLg23h
InChI	InChI=1S/C17H20ClNO2.C4H4O4/c1-19(10-8-13-2-5-15(18)6-3-13)11-9-14-4-7-16(20)17(21)12-14;5-3(6)1-2-4(7)8/h2-7,12,20-21H,8-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey	ZIWPSFNOLLGOIB-WLHGVMLRSA-N Google Search
Mol Weight	421.88 g/mol
Molecular Formula	C21H24ClNO6
Exact Mass	421.129215 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	7Y4THQRpnN
Name	4-{2-[(p-CHLOROPHENETHYL)METHYLAMINO]ETHYL}PYROCATECHOL, FUMARATE (1:1) (SALT)
Source of Sample	L. NEDELEC, ROUSSEL-UCLAF RESEARCH CENTER, ROMAINVILLE, FRANCE
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H24ClNO6
InChI	InChI=1S/C17H20ClNO2.C4H4O4/c1-19(10-8-13-2-5-15(18)6-3-13)11-9-14-4-7-16(20)17(21)12-14;5-3(6)1-2-4(7)8/h2-7,12,20-21H,8-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey	ZIWPSFNOLLGOIB-WLHGVMLRSA-N
Literature Reference	EUR. J. MED. CHEM. 13, 553(1978) Abstract-Chemical Abstracts= 90, 168185(1979)
Molecular Weight	421.873993
Synonyms	PYROCATECHOL, 4-/2-//P-CHLOROPHEN- ETHYL/METHYLAMINO/ETHYL/-, FUMARATE /1 TO 1/ /SALT/
Technique	KBr WAFER