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N-Amino-N'-(1-butylpentyl)perylene-3,4:9,10-tetracarboxylic bisimide
SpectraBase Compound ID 6eaoQAnbebj
InChI InChI=1S/C33H29N3O4/c1-3-5-7-17(8-6-4-2)35-30(37)22-13-9-18-20-11-15-24-29-25(33(40)36(34)32(24)39)16-12-21(27(20)29)19-10-14-23(31(35)38)28(22)26(18)19/h9-17H,3-8,34H2,1-2H3
InChIKey JVQDAWZIRKILTI-UHFFFAOYSA-N
Mol Weight 531.6 g/mol
Molecular Formula C33H29N3O4
Exact Mass 531.215806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fml65mnGsl
Name N-Amino-N'-(1-butylpentyl)perylene-3,4:9,10-tetracarboxylic bisimide
Alternate Name(s) 2-Amino-9-(1-butylpentyl)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 C33H29N3O4
InChI InChI=1S/C33H29N3O4/c1-3-5-7-17(8-6-4-2)35-30(37)22-13-9-18-20-11-15-24-29-25(33(40)36(34)32(24)39)16-12-21(27(20)29)19-10-14-23(31(35)38)28(22)26(18)19/h9-17H,3-8,34H2,1-2H3
InChIKey JVQDAWZIRKILTI-UHFFFAOYSA-N
Molecular Weight 531.612 g/mol
SMILES NN1C(c2ccc3c4c2c(C1=O)ccc4c1c2c4c(C(N(C(c4cc1)=O)C(CCCC)CCCC)=O)ccc32)=O
SPLASH splash10-0a4i-1002950000-8acd5899f16143deb9e4
Source of Spectrum QE-4-2112-6
Wiley ID 843781