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N'-[1'-Hexylheptyl]-N-acetamidoperylene-3,4-dicarboximide

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N'-[1'-Hexylheptyl]-N-acetamidoperylene-3,4-dicarboximide
SpectraBase Compound ID Acf5BM0cwq1
InChI InChI=1S/C37H40N2O3/c1-3-5-7-9-15-25(16-10-8-6-4-2)38-32(40)23-39-36(41)30-21-19-28-26-17-11-13-24-14-12-18-27(33(24)26)29-20-22-31(37(39)42)35(30)34(28)29/h11-14,17-22,25H,3-10,15-16,23H2,1-2H3,(H,38,40)
InChIKey ZNPYBHKTMYVFHG-UHFFFAOYSA-N
Mol Weight 560.7 g/mol
Molecular Formula C37H40N2O3
Exact Mass 560.303893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID URCVYpuZX7
Name N'-[1'-Hexylheptyl]-N-acetamidoperylene-3,4-dicarboximide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 560.303893153 u
Formula C37H40N2O3
InChI InChI=1S/C37H40N2O3/c1-3-5-7-9-15-25(16-10-8-6-4-2)38-32(40)23-39-36(41)30-21-19-28-26-17-11-13-24-14-12-18-27(33(24)26)29-20-22-31(37(39)42)35(30)34(28)29/h11-14,17-22,25H,3-10,15-16,23H2,1-2H3,(H,38,40)
InChIKey ZNPYBHKTMYVFHG-UHFFFAOYSA-N
Molecular Weight 560.738 g/mol
SMILES C1(N(C(C2=C3C=4C(=CC=C13)C1=CC=CC3=C1C(C4C=C2)=CC=C3)=O)CC(NC(CCCCCC)CCCCCC)=O)=O