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N,N'-Bis(2-(1-pentylhexyl)-3-pentyloctyl)perylene-3,4:9,10-bis(dicarboximide)
SpectraBase Compound ID JZWpq1uNOvF
InChI InChI=1S/C72H106N2O4/c1-9-17-25-33-51(34-26-18-10-2)63(52(35-27-19-11-3)36-28-20-12-4)49-73-69(75)59-45-41-55-57-43-47-61-68-62(48-44-58(66(57)68)56-42-46-60(70(73)76)67(59)65(55)56)72(78)74(71(61)77)50-64(53(37-29-21-13-5)38-30-22-14-6)54(39-31-23-15-7)40-32-24-16-8/h41-48,51-54,63-64H,9-40,49-50H2,1-8H3
InChIKey NCYWJELNMCHTDZ-UHFFFAOYSA-N
Mol Weight 1063.6 g/mol
Molecular Formula C72H106N2O4
Exact Mass 1062.81526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G99PPq4mM32
Name N,N'-Bis(2-(1-pentylhexyl)-3-pentyloctyl)perylene-3,4:9,10-bis(dicarboximide)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C72H106N2O4
InChI InChI=1S/C72H106N2O4/c1-9-17-25-33-51(34-26-18-10-2)63(52(35-27-19-11-3)36-28-20-12-4)49-73-69(75)59-45-41-55-57-43-47-61-68-62(48-44-58(66(57)68)56-42-46-60(70(73)76)67(59)65(55)56)72(78)74(71(61)77)50-64(53(37-29-21-13-5)38-30-22-14-6)54(39-31-23-15-7)40-32-24-16-8/h41-48,51-54,63-64H,9-40,49-50H2,1-8H3
InChIKey NCYWJELNMCHTDZ-UHFFFAOYSA-N
Molecular Weight 1063.650 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1ccc3c5c1c(c4cc2)ccc5C(N(C3=O)CC(C(CCCCC)CCCCC)C(CCCCC)CCCCC)=O)=O)CC(C(CCCCC)CCCCC)C(CCCCC)CCCCC)=O
SPLASH splash10-04k9-8129100300-aa486db5a125c40e5e9c
Source of Spectrum F-56-5438-2
Synonyms 2,9-Bis-[3-pentyl-2-(1-pentyl-hexyl)-octyl]-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetraone
Wiley ID 857818