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N-Amino-N'-(1-octylnonyl)perylene-3,4:9,10-tetracarboxylic bisimide
SpectraBase Compound ID JJCzRHjufwC
InChI InChI=1S/C41H45N3O4/c1-3-5-7-9-11-13-15-25(16-14-12-10-8-6-4-2)43-38(45)30-21-17-26-28-19-23-32-37-33(41(48)44(42)40(32)47)24-20-29(35(28)37)27-18-22-31(39(43)46)36(30)34(26)27/h17-25H,3-16,42H2,1-2H3
InChIKey LDYKVZSJQHUITR-UHFFFAOYSA-N
Mol Weight 643.8 g/mol
Molecular Formula C41H45N3O4
Exact Mass 643.341007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RvFzmimUZp
Name N-Amino-N'-(1-octylnonyl)perylene-3,4:9,10-tetracarboxylic bisimide
Alternate Name(s) 2-Amino-9-(1-octylnonyl)isoquino[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H45N3O4
InChI InChI=1S/C41H45N3O4/c1-3-5-7-9-11-13-15-25(16-14-12-10-8-6-4-2)43-38(45)30-21-17-26-28-19-23-32-37-33(41(48)44(42)40(32)47)24-20-29(35(28)37)27-18-22-31(39(43)46)36(30)34(26)27/h17-25H,3-16,42H2,1-2H3
InChIKey LDYKVZSJQHUITR-UHFFFAOYSA-N
Molecular Weight 643.828 g/mol
SMILES NN1C(c2ccc3c4c2c(C1=O)ccc4c1c2c4c(C(N(C(c4cc1)=O)C(CCCCCCCC)CCCCCCCC)=O)ccc32)=O
SPLASH splash10-0a4i-0002902000-2cee2cfe4fb16262c0b5
Source of Spectrum QE-4-2112-6
Wiley ID 843778