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N-(1-Hexylheptyl)-9,10-bis(propyloxycarbonyl)perylene-3,4-dicarboximide
SpectraBase Compound ID AJORHnWjT4T
InChI InChI=1S/C43H49NO6/c1-5-9-11-13-15-27(16-14-12-10-6-2)44-40(45)32-21-17-28-30-19-23-34(42(47)49-25-7-3)39-35(43(48)50-26-8-4)24-20-31(37(30)39)29-18-22-33(41(44)46)38(32)36(28)29/h17-24,27H,5-16,25-26H2,1-4H3
InChIKey VTVIPIWHFXWSGV-UHFFFAOYSA-N
Mol Weight 675.9 g/mol
Molecular Formula C43H49NO6
Exact Mass 675.355988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZcA32BTPYP
Name N-(1-Hexylheptyl)-9,10-bis(propyloxycarbonyl)perylene-3,4-dicarboximide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H49NO6
InChI InChI=1S/C43H49NO6/c1-5-9-11-13-15-27(16-14-12-10-6-2)44-40(45)32-21-17-28-30-19-23-34(42(47)49-25-7-3)39-35(43(48)50-26-8-4)24-20-31(37(30)39)29-18-22-33(41(44)46)38(32)36(28)29/h17-24,27H,5-16,25-26H2,1-4H3
InChIKey VTVIPIWHFXWSGV-UHFFFAOYSA-N
Molecular Weight 675.866 g/mol
SMILES C1(N(C(c2ccc3c4c5c(c(ccc5c5ccc1c2c35)C(=O)OCCC)c(cc4)C(=O)OCCC)=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-002f-0004809000-b649fbfc8548e9b2ed47
Source of Spectrum U1-2011-711-4a
Wiley ID 1664843