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N,N'-bis(1'-Hexylheptyl)pyrrolo[2,3,4,5-hik]perylene-3,4 : 8,9-bis(dicarboximide)
SpectraBase Compound ID E9UIhXYbary
InChI InChI=1S/C50H61N3O4/c1-5-9-13-17-21-31(22-18-14-10-6-2)52-47(54)35-27-25-33-34-26-28-36-42-38(50(57)53(48(36)55)32(23-19-15-11-7-3)24-20-16-12-8-4)30-40-46(44(34)42)45-39(51-40)29-37(49(52)56)41(35)43(33)45/h25-32,51H,5-24H2,1-4H3
InChIKey NXEAUBJFLILGCL-UHFFFAOYSA-N
Mol Weight 768.1 g/mol
Molecular Formula C50H61N3O4
Exact Mass 767.466207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlsWMvf4Is3
Name N,N'-bis(1'-Hexylheptyl)pyrrolo[2,3,4,5-hik]perylene-3,4 : 8,9-bis(dicarboximide)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H61N3O4
InChI InChI=1S/C50H61N3O4/c1-5-9-13-17-21-31(22-18-14-10-6-2)52-47(54)35-27-25-33-34-26-28-36-42-38(50(57)53(48(36)55)32(23-19-15-11-7-3)24-20-16-12-8-4)30-40-46(44(34)42)45-39(51-40)29-37(49(52)56)41(35)43(33)45/h25-32,51H,5-24H2,1-4H3
InChIKey NXEAUBJFLILGCL-UHFFFAOYSA-N
Molecular Weight 768.055 g/mol
SMILES [nH]1c2cc3c4c5c2c2c6c(ccc7C(N(C(c(cc12)c67)=O)C(CCCCCC)CCCCCC)=O)c5ccc4C(N(C3=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-0udi-0001930300-cf524ed93527f8fa867e
Source of Spectrum K1-2000-371-12
Wiley ID 749718