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N-Amino-N'-(1-heptyloctyl)perylene-3,4:9,10-tetracarboxylic bisimide
SpectraBase Compound ID KWgXTUnmRJt
InChI InChI=1S/C39H41N3O4/c1-3-5-7-9-11-13-23(14-12-10-8-6-4-2)41-36(43)28-19-15-24-26-17-21-30-35-31(39(46)42(40)38(30)45)22-18-27(33(26)35)25-16-20-29(37(41)44)34(28)32(24)25/h15-23H,3-14,40H2,1-2H3
InChIKey OMMKMZYDOWDLOB-UHFFFAOYSA-N
Mol Weight 615.8 g/mol
Molecular Formula C39H41N3O4
Exact Mass 615.309707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3N6gGL4M905
Name N-Amino-N'-(1-heptyloctyl)perylene-3,4:9,10-tetracarboxylic bisimide
Alternate Name(s) 2-Amino-9-(1-heptyloctyl)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 C39H41N3O4
InChI InChI=1S/C39H41N3O4/c1-3-5-7-9-11-13-23(14-12-10-8-6-4-2)41-36(43)28-19-15-24-26-17-21-30-35-31(39(46)42(40)38(30)45)22-18-27(33(26)35)25-16-20-29(37(41)44)34(28)32(24)25/h15-23H,3-14,40H2,1-2H3
InChIKey OMMKMZYDOWDLOB-UHFFFAOYSA-N
Molecular Weight 615.774 g/mol
SMILES NN1C(c2ccc3c4c2c(C1=O)ccc4c1c2c4c(C(N(C(c4cc1)=O)C(CCCCCCC)CCCCCCC)=O)ccc32)=O
SPLASH splash10-0a4i-0003902000-1bf476af89c9ff4b9741
Source of Spectrum QE-4-2112-6
Wiley ID 843779