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N-(1'-Hexylheptyl)-N'-[p-(N"-phenylcarbaldimin-N"-oxidobenzyl]-perylene-3,4 : 9,10-tetracarboxylic-Bisimide
SpectraBase Compound ID 1yu180oIO0n
InChI InChI=1S/C51H47N3O5/c1-3-5-7-10-16-35(17-11-8-6-4-2)54-50(57)42-28-24-38-36-22-26-40-46-41(27-23-37(44(36)46)39-25-29-43(51(54)58)47(42)45(38)39)49(56)52(48(40)55)30-32-18-20-33(21-19-32)31-53(59)34-14-12-9-13-15-34/h9,12-15,18-29,31,35H,3-8,10-11,16-17,30H2,1-2H3/q-1
InChIKey USZOPQCOIDDACL-UHFFFAOYSA-N
Mol Weight 782.0 g/mol
Molecular Formula C51H47N3O5
Exact Mass 781.351572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AsAc2oX0NXX
Name N-(1'-Hexylheptyl)-N'-[p-(N"-phenylcarbaldimin-N"-oxidobenzyl]-perylene-3,4 : 9,10-tetracarboxylic-Bisimide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H47N3O5
InChI InChI=1S/C51H47N3O5/c1-3-5-7-10-16-35(17-11-8-6-4-2)54-50(57)42-28-24-38-36-22-26-40-46-41(27-23-37(44(36)46)39-25-29-43(51(54)58)47(42)45(38)39)49(56)52(48(40)55)30-32-18-20-33(21-19-32)31-53(59)34-14-12-9-13-15-34/h9,12-15,18-29,31,35H,3-8,10-11,16-17,30H2,1-2H3/q-1
InChIKey USZOPQCOIDDACL-UHFFFAOYSA-N
Molecular Weight 781.953 g/mol
SMILES C1(N(C(c2ccc3c4ccc5C(N(C(c6ccc(c7ccc1c2c37)c4c56)=O)C(CCCCCC)CCCCCC)=O)=O)Cc1ccc(\C(=[N+]/([O-])c2ccccc2)[H-])cc1)=O
SPLASH splash10-053r-0061090200-730f44990ba29ed6a54f
Source of Spectrum QE-15-12741-4
Wiley ID 1693088