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N-(1-Heptyloctyl)-N'-(2-ethoxycarbonyl-2-fluorene-9-onyl)perylene-3,4:9,10-tetracarboxylic bisimide
SpectraBase Compound ID FXv3pdTIti5
InChI InChI=1S/C55H50N2O7/c1-3-5-7-9-11-15-33(16-12-10-8-6-4-2)57-53(61)43-27-23-38-36-21-25-41-48-42(26-22-37(46(36)48)39-24-28-44(54(57)62)49(43)47(38)39)52(60)56(51(41)59)29-30-64-55(63)32-19-20-35-34-17-13-14-18-40(34)50(58)45(35)31-32/h13-14,17-28,31,33H,3-12,15-16,29-30H2,1-2H3
InChIKey QSCPHZAENMLTRC-UHFFFAOYSA-N
Mol Weight 851.0 g/mol
Molecular Formula C55H50N2O7
Exact Mass 850.361802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sTszjwg40
Name N-(1-Heptyloctyl)-N'-(2-ethoxycarbonyl-2-fluorene-9-onyl)perylene-3,4:9,10-tetracarboxylic bisimide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C55H50N2O7
InChI InChI=1S/C55H50N2O7/c1-3-5-7-9-11-15-33(16-12-10-8-6-4-2)57-53(61)43-27-23-38-36-21-25-41-48-42(26-22-37(46(36)48)39-24-28-44(54(57)62)49(43)47(38)39)52(60)56(51(41)59)29-30-64-55(63)32-19-20-35-34-17-13-14-18-40(34)50(58)45(35)31-32/h13-14,17-28,31,33H,3-12,15-16,29-30H2,1-2H3
InChIKey QSCPHZAENMLTRC-UHFFFAOYSA-N
Molecular Weight 851.012 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1ccc3C(N(C(c5c3c1c(c4cc2)cc5)=O)CCOC(c1cc2C(c3ccccc3-c2cc1)=O)=O)=O)=O)C(CCCCCCC)CCCCCCC)=O
SPLASH splash10-052f-0163509050-472018a72a0b9ef30648
Source of Spectrum QF-8-5637-16
Wiley ID 1558128