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N-(1-Hexylheptyl)-N'-(aminocarbonyl-2'-anthraquinoyl)perylene-3,4:9,10-tetracarboxylic bisimide
SpectraBase Compound ID KPrrmQFm689
InChI InChI=1S/C52H43N3O7/c1-3-5-7-9-13-29(14-10-8-6-4-2)54-49(59)37-23-19-30-32-21-25-39-45-40(26-22-33(43(32)45)31-20-24-38(50(54)60)44(37)42(30)31)52(62)55(51(39)61)53-48(58)28-17-18-36-41(27-28)47(57)35-16-12-11-15-34(35)46(36)56/h11-12,15-27,29H,3-10,13-14H2,1-2H3,(H,53,58)
InChIKey YZNNXXUKXNKQHE-UHFFFAOYSA-N
Mol Weight 821.9 g/mol
Molecular Formula C52H43N3O7
Exact Mass 821.310101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWURjO93oJ4
Name N-(1-Hexylheptyl)-N'-(aminocarbonyl-2'-anthraquinoyl)perylene-3,4:9,10-tetracarboxylic bisimide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H43N3O7
InChI InChI=1S/C52H43N3O7/c1-3-5-7-9-13-29(14-10-8-6-4-2)54-49(59)37-23-19-30-32-21-25-39-45-40(26-22-33(43(32)45)31-20-24-38(50(54)60)44(37)42(30)31)52(62)55(51(39)61)53-48(58)28-17-18-36-41(27-28)47(57)35-16-12-11-15-34(35)46(36)56/h11-12,15-27,29H,3-10,13-14H2,1-2H3,(H,53,58)
InChIKey YZNNXXUKXNKQHE-UHFFFAOYSA-N
Molecular Weight 821.930 g/mol
SMILES N(N1C(c2ccc3c4c2c(C1=O)ccc4c1ccc2C(N(C(CCCCCC)CCCCCC)C(c4c2c1c3cc4)=O)=O)=O)C(c1cc2C(c3ccccc3C(c2cc1)=O)=O)=O
SPLASH splash10-0a4r-0082913000-03c1931f54a3e58488ee
Source of Spectrum QF-8-5642-15
Wiley ID 1558112