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N-(1-Hexylheptyl)-N'-(1-naphthyl)perylene-3,4:9,10-tetracarboxylic bisimide
SpectraBase Compound ID LK9twbRZHgc
InChI InChI=1S/C47H42N2O4/c1-3-5-7-9-16-29(17-10-8-6-4-2)48-44(50)35-24-20-31-33-22-26-37-43-38(27-23-34(41(33)43)32-21-25-36(45(48)51)42(35)40(31)32)47(53)49(46(37)52)39-19-13-15-28-14-11-12-18-30(28)39/h11-15,18-27,29H,3-10,16-17H2,1-2H3
InChIKey KOYNMWMYDURSJQ-UHFFFAOYSA-N
Mol Weight 698.9 g/mol
Molecular Formula C47H42N2O4
Exact Mass 698.314458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5UegYZIcJc
Name N-(1-Hexylheptyl)-N'-(1-naphthyl)perylene-3,4:9,10-tetracarboxylic bisimide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H42N2O4
InChI InChI=1S/C47H42N2O4/c1-3-5-7-9-16-29(17-10-8-6-4-2)48-44(50)35-24-20-31-33-22-26-37-43-38(27-23-34(41(33)43)32-21-25-36(45(48)51)42(35)40(31)32)47(53)49(46(37)52)39-19-13-15-28-14-11-12-18-30(28)39/h11-15,18-27,29H,3-10,16-17H2,1-2H3
InChIKey KOYNMWMYDURSJQ-UHFFFAOYSA-N
Molecular Weight 698.863 g/mol
SMILES C1(N(C(c2c3c4c(c5ccc6c7c5c(c4ccc13)ccc7C(N(C6=O)C(CCCCCC)CCCCCC)=O)cc2)=O)c1c2c(cccc2)ccc1)=O
SPLASH splash10-014i-0002091000-bbdc764fa6e474ff3f7d
Source of Spectrum QF-8-5640-9
Synonyms 2-(1-hexylheptyl)-9-(1-naphthyl)isoquino[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone
Wiley ID 1558119