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N-(1-Hexylheptyl)perylene-3,4:9,10-tetracarboxylic-3,4-(1-hexylimineimide)-9,10-imide
SpectraBase Compound ID DYdzYbC6geZ
InChI InChI=1S/C44H49N3O4/c1-4-7-10-13-16-27-45-47-43(50)35-25-21-31-29-19-23-33-39-34(24-20-30(37(29)39)32-22-26-36(44(47)51)40(35)38(31)32)42(49)46(41(33)48)28(17-14-11-8-5-2)18-15-12-9-6-3/h19-28H,4-18H2,1-3H3/b45-27-
InChIKey JANNJSFFTNFJPT-VNAFTJRNSA-N
Mol Weight 683.9 g/mol
Molecular Formula C44H49N3O4
Exact Mass 683.372307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DaHDwlDlmDv
Name N-(1-Hexylheptyl)perylene-3,4:9,10-tetracarboxylic-3,4-(1-hexylimineimide)-9,10-imide
Alternate Name(s) 2-Hept-(Z)-ylideneamino-9-(1-hexyl-heptyl)-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetraone
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Formula C44H49N3O4
InChI InChI=1S/C44H49N3O4/c1-4-7-10-13-16-27-45-47-43(50)35-25-21-31-29-19-23-33-39-34(24-20-30(37(29)39)32-22-26-36(44(47)51)40(35)38(31)32)42(49)46(41(33)48)28(17-14-11-8-5-2)18-15-12-9-6-3/h19-28H,4-18H2,1-3H3/b45-27-
InChIKey JANNJSFFTNFJPT-VNAFTJRNSA-N
Molecular Weight 683.893 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1ccc3C(N(C(c5c3c1c(c4cc2)cc5)=O)\N=C/CCCCCC)=O)=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-0006-3009130000-ace7fcffd6645677e7d0
Source of Spectrum QE-4-2115-7
Wiley ID 843769