N-(1'-Hexylheptyl)-N'-{[2"-(3,4,5-trimethoxyphenyl)-1",3"-dioxolan-4"-yl]methyl}-perylene-3,4 : 9,10-bis(dicarboxamide)

SpectraBase Compound ID	hpiAREdpCc
InChI	InChI=1S/C50H52N2O9/c1-6-8-10-12-14-29(15-13-11-9-7-2)52-48(55)37-22-18-33-31-16-20-35-43-36(21-17-32(41(31)43)34-19-23-38(49(52)56)44(37)42(33)34)47(54)51(46(35)53)26-30-27-60-50(61-30)28-24-39(57-3)45(59-5)40(25-28)58-4/h16-25,29-30,50H,6-15,26-27H2,1-5H3
InChIKey	JAVXCLZBZHTFHX-UHFFFAOYSA-N Google Search
Mol Weight	825.0 g/mol
Molecular Formula	C50H52N2O9
Exact Mass	824.367281 g/mol

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SpectraBase Spectrum ID	1LTscvbWN4o
Name	N-(1'-Hexylheptyl)-N'-{[2"-(3,4,5-trimethoxyphenyl)-1",3"-dioxolan-4"-yl]methyl}-perylene-3,4 : 9,10-bis(dicarboxamide)
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C50H52N2O9
InChI	InChI=1S/C50H52N2O9/c1-6-8-10-12-14-29(15-13-11-9-7-2)52-48(55)37-22-18-33-31-16-20-35-43-36(21-17-32(41(31)43)34-19-23-38(49(52)56)44(37)42(33)34)47(54)51(46(35)53)26-30-27-60-50(61-30)28-24-39(57-3)45(59-5)40(25-28)58-4/h16-25,29-30,50H,6-15,26-27H2,1-5H3
InChIKey	JAVXCLZBZHTFHX-UHFFFAOYSA-N
Molecular Weight	824.971 g/mol
SMILES	C1(N(C(c2ccc3c4c5c6c(C(N(C(c6ccc5c5ccc1c2c35)=O)C(CCCCCC)CCCCCC)=O)cc4)=O)CC1OC(c2cc(OC)c(c(c2)OC)OC)OC1)=O
SPLASH	splash10-0100-0322502090-c598188a43680b9c2a3e
Source of Spectrum	Y2-71-633-4
Wiley ID	1587556