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N-(1'-Hexylheptyl)-N'-[p-(N"-methylcarbaldimin-N"-oxidobenzyl]-perylene-3,4 : 9,10-tetracarboxylic -Bisiimide
SpectraBase Compound ID 3M5DCoxe5Bj
InChI InChI=1S/C46H45N3O5/c1-4-6-8-10-12-30(13-11-9-7-5-2)49-45(52)37-24-20-33-31-18-22-35-41-36(23-19-32(39(31)41)34-21-25-38(46(49)53)42(37)40(33)34)44(51)48(43(35)50)27-29-16-14-28(15-17-29)26-47(3)54/h14-26,30H,4-13,27H2,1-3H3/q-1
InChIKey XRIZGKIKFBEWRM-UHFFFAOYSA-N
Mol Weight 719.9 g/mol
Molecular Formula C46H45N3O5
Exact Mass 719.335922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1cHGeioL4y
Name N-(1'-Hexylheptyl)-N'-[p-(N"-methylcarbaldimin-N"-oxidobenzyl]-perylene-3,4 : 9,10-tetracarboxylic -Bisiimide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H45N3O5
InChI InChI=1S/C46H45N3O5/c1-4-6-8-10-12-30(13-11-9-7-5-2)49-45(52)37-24-20-33-31-18-22-35-41-36(23-19-32(39(31)41)34-21-25-38(46(49)53)42(37)40(33)34)44(51)48(43(35)50)27-29-16-14-28(15-17-29)26-47(3)54/h14-26,30H,4-13,27H2,1-3H3/q-1
InChIKey XRIZGKIKFBEWRM-UHFFFAOYSA-N
Molecular Weight 719.882 g/mol
SMILES C1(N(C(c2c3c4c(c5ccc6C(N(C(c7ccc(c4ccc13)c5c67)=O)C(CCCCCC)CCCCCC)=O)cc2)=O)Cc1ccc(\C(=[N+]/([O-])C)[H-])cc1)=O
SPLASH splash10-00di-0001090300-14039eeb1dfececc4e67
Source of Spectrum QE-15-12741-3
Wiley ID 1693089