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N-(1-Hexylheptyl)perylene-3,4:9,10-tetracarboxylic-3,4-(4-methoxybenzylimineimide)-9,10-imide
SpectraBase Compound ID LDrT8CktYTk
InChI InChI=1S/C45H43N3O5/c1-4-6-8-10-12-28(13-11-9-7-5-2)47-42(49)34-22-18-30-32-20-24-36-41-37(45(52)48(44(36)51)46-26-27-14-16-29(53-3)17-15-27)25-21-33(39(32)41)31-19-23-35(43(47)50)40(34)38(30)31/h14-26,28H,4-13H2,1-3H3/b46-26-
InChIKey BYNHHRBNJUOWPQ-RNDJEAMVSA-N
Mol Weight 705.9 g/mol
Molecular Formula C45H43N3O5
Exact Mass 705.320271 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvYXrFhdXlJ
Name N-(1-Hexylheptyl)perylene-3,4:9,10-tetracarboxylic-3,4-(4-methoxybenzylimineimide)-9,10-imide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H43N3O5
InChI InChI=1S/C45H43N3O5/c1-4-6-8-10-12-28(13-11-9-7-5-2)47-42(49)34-22-18-30-32-20-24-36-41-37(45(52)48(44(36)51)46-26-27-14-16-29(53-3)17-15-27)25-21-33(39(32)41)31-19-23-35(43(47)50)40(34)38(30)31/h14-26,28H,4-13H2,1-3H3/b46-26-
InChIKey BYNHHRBNJUOWPQ-RNDJEAMVSA-N
Molecular Weight 705.855 g/mol
SMILES C1(N(C(c2c3c4c(c5ccc6C(N(C(c7c6c5c(c4ccc13)cc7)=O)C(CCCCCC)CCCCCC)=O)cc2)=O)\N=C/c1ccc(cc1)OC)=O
SPLASH splash10-0006-0009020000-201df813ec2a72a1cf03
Source of Spectrum QE-4-2113-7
Wiley ID 843773