4-[2-(allylphenethylamino)ethyl]pyrocatechol, fumarate(1:1)(salt)

SpectraBase Compound ID	JWYHtXx0UDv
InChI	InChI=1S/C19H23NO2.C4H4O4/c1-2-12-20(13-10-16-6-4-3-5-7-16)14-11-17-8-9-18(21)19(22)15-17;5-3(6)1-2-4(7)8/h2-9,15,21-22H,1,10-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey	YRNDOMLVAJHMLG-WLHGVMLRSA-N Google Search
Mol Weight	413.47 g/mol
Molecular Formula	C23H27NO6
Exact Mass	413.183838 g/mol

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SpectraBase Spectrum ID	hvaZVZJGRq
Name	4-[2-(ALLYLPHENETHYLAMINO)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	C23H27NO6
InChI	InChI=1S/C19H23NO2.C4H4O4/c1-2-12-20(13-10-16-6-4-3-5-7-16)14-11-17-8-9-18(21)19(22)15-17;5-3(6)1-2-4(7)8/h2-9,15,21-22H,1,10-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey	YRNDOMLVAJHMLG-WLHGVMLRSA-N
Literature Reference	EUR. J. MED. CHEM. 13, 553(1978) Abstract-Chemical Abstracts= 90, 168185(1979)
Molecular Weight	413.470001
Synonyms	PYROCATECHOL, 4-/2-/ALLYLPHEN- ETHYLAMINO/ETHYL/-, FUMARATE /1 TO 1/ /SALT/
Technique	KBr WAFER