4-[2-(phenethylpropylamino)ethyl]pyrocatechol, dibenzoate(ester), fumarate(1:1)(salt)

SpectraBase Compound ID	ViwsuSeBcL
InChI	InChI=1S/C33H33NO4.C4H4O4/c1-2-22-34(23-20-26-12-6-3-7-13-26)24-21-27-18-19-30(37-32(35)28-14-8-4-9-15-28)31(25-27)38-33(36)29-16-10-5-11-17-29;5-3(6)1-2-4(7)8/h3-19,25H,2,20-24H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey	HVQAADFNEMYXCI-WLHGVMLRSA-N Google Search
Mol Weight	623.7 g/mol
Molecular Formula	C37H37NO8
Exact Mass	623.251917 g/mol

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SpectraBase Spectrum ID	BZXhFnK7PiX
Name	4-[2-(PHENETHYLPROPYLAMINO)ETHYL]PYROCATECHOL, DIBENZOATE (ESTER), 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	C37H37NO8
InChI	InChI=1S/C33H33NO4.C4H4O4/c1-2-22-34(23-20-26-12-6-3-7-13-26)24-21-27-18-19-30(37-32(35)28-14-8-4-9-15-28)31(25-27)38-33(36)29-16-10-5-11-17-29;5-3(6)1-2-4(7)8/h3-19,25H,2,20-24H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey	HVQAADFNEMYXCI-WLHGVMLRSA-N
Literature Reference	EUR. J. MED. CHEM. 13, 553(1978) Abstract-Chemical Abstracts= 90, 168185(1979)
Molecular Weight	623.702026
Synonyms	PYROCATECHOL, 4-/2-/PHENETHYL- PROPYLAMINO/ETHYL/-, DIBENZOATE /ESTER/, FUMARATE /1 TO 1/ /SALT/
Technique	KBr WAFER