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

SpectraBase Compound ID	2pLcTHzztHs
InChI	InChI=1S/2C17H21NO2.C4H4O4/c21-18(11-9-14-5-3-2-4-6-14)12-10-15-7-8-16(19)17(20)13-15;5-3(6)1-2-4(7)8/h22-8,13,19-20H,9-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChIKey	SCMIIIRAZKDUEO-WXXKFALUSA-N Google Search
Mol Weight	658.79 g/mol
Molecular Formula	C38H46N2O8
Exact Mass	658.325416 g/mol

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SpectraBase Spectrum ID	A7c6q1jQkyV
Name	4-[2-(METHYLPHENETHYLAMINO)ETHYL]PYROCATECHOL, FUMARATE (2:1) (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	C38H46N2O8
InChI	InChI=1S/2C17H21NO2.C4H4O4/c21-18(11-9-14-5-3-2-4-6-14)12-10-15-7-8-16(19)17(20)13-15;5-3(6)1-2-4(7)8/h22-8,13,19-20H,9-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChIKey	SCMIIIRAZKDUEO-WXXKFALUSA-N
Literature Reference	EUR. J. MED. CHEM. 13, 553(1978) Abstract-Chemical Abstracts= 90, 168185(1979)
Molecular Weight	658.791992
Synonyms	PYROCATECHOL, 4-/2-/METHYLPHEN- ETHYLAMINO/ETHYL/-, FUMARATE /2 TO 1/ /SALT/
Technique	KBr WAFER