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N-(1'-Hexylheptyl)-N'-[p-(5-methoxycarbonyl-5-methyl-2-phenylisoxazolidin-3-yl)-benzyl]-perylene-3,4 : 9,10-tetracarboxylic-Bisimide
SpectraBase Compound ID 6YzOnQ9u2pL
InChI InChI=1S/C56H55N3O7/c1-5-7-9-12-16-36(17-13-10-8-6-2)58-53(62)44-30-26-40-38-24-28-42-49-43(29-25-39(47(38)49)41-27-31-45(54(58)63)50(44)48(40)41)52(61)57(51(42)60)33-34-20-22-35(23-21-34)46-32-56(3,55(64)65-4)66-59(46)37-18-14-11-15-19-37/h11,14-15,18-31,36,46H,5-10,12-13,16-17,32-33H2,1-4H3/t46-,56-/m0/s1
InChIKey OAYSZJQVKDYFDJ-IXRBWZILSA-N
Mol Weight 882.1 g/mol
Molecular Formula C56H55N3O7
Exact Mass 881.404001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Au5GfGP7pnG
Name N-(1'-Hexylheptyl)-N'-[p-(5-methoxycarbonyl-5-methyl-2-phenylisoxazolidin-3-yl)-benzyl]-perylene-3,4 : 9,10-tetracarboxylic-Bisimide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C56H55N3O7
InChI InChI=1S/C56H55N3O7/c1-5-7-9-12-16-36(17-13-10-8-6-2)58-53(62)44-30-26-40-38-24-28-42-49-43(29-25-39(47(38)49)41-27-31-45(54(58)63)50(44)48(40)41)52(61)57(51(42)60)33-34-20-22-35(23-21-34)46-32-56(3,55(64)65-4)66-59(46)37-18-14-11-15-19-37/h11,14-15,18-31,36,46H,5-10,12-13,16-17,32-33H2,1-4H3/t46-,56-/m0/s1
InChIKey OAYSZJQVKDYFDJ-IXRBWZILSA-N
Molecular Weight 882.070 g/mol
SMILES C1(N(C(c2ccc3c4c2c1ccc4c1ccc2C(N(C(c4ccc3c1c24)=O)C(CCCCCC)CCCCCC)=O)=O)Cc1ccc([C@]2(N(O[C@@](C2)(C(=O)OC)C)c2ccccc2)[H])cc1)=O
SPLASH splash10-0a4i-1002092000-1cfdb50421cab301f104
Source of Spectrum QE-15-12741-6
Wiley ID 1693087