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N-Amino-N'-(1-hexylheptyl)perylene-3,4:9,10-tetracarboxylic bisimide
SpectraBase Compound ID KyY84Nk2sd
InChI InChI=1S/C37H37N3O4/c1-3-5-7-9-11-21(12-10-8-6-4-2)39-34(41)26-17-13-22-24-15-19-28-33-29(37(44)40(38)36(28)43)20-16-25(31(24)33)23-14-18-27(35(39)42)32(26)30(22)23/h13-21H,3-12,38H2,1-2H3
InChIKey BXEAOKRFKKWVJI-UHFFFAOYSA-N
Mol Weight 587.7 g/mol
Molecular Formula C37H37N3O4
Exact Mass 587.278407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4DUkeHKJzcu
Name N-Amino-N'-(1-hexylheptyl)perylene-3,4:9,10-tetracarboxylic bisimide
Alternate Name(s) 2-Amino-9-(1-hexylheptyl)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 C37H37N3O4
InChI InChI=1S/C37H37N3O4/c1-3-5-7-9-11-21(12-10-8-6-4-2)39-34(41)26-17-13-22-24-15-19-28-33-29(37(44)40(38)36(28)43)20-16-25(31(24)33)23-14-18-27(35(39)42)32(26)30(22)23/h13-21H,3-12,38H2,1-2H3
InChIKey BXEAOKRFKKWVJI-UHFFFAOYSA-N
Molecular Weight 587.720 g/mol
SMILES NN1C(c2ccc3c4c2c(C1=O)ccc4c1c2c4c(C(N(C(c4cc1)=O)C(CCCCCC)CCCCCC)=O)ccc32)=O
SPLASH splash10-0a4i-0002920000-9c2ec51e1508dfe47ebf
Source of Spectrum QE-4-2112-6
Wiley ID 843780