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Methyl 4-[4'-(t-butylphenyl)methylcarbamoyl]perylene-3-carboxylate

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Methyl 4-[4'-(t-butylphenyl)methylcarbamoyl]perylene-3-carboxylate
SpectraBase Compound ID 3JOTm37dUbF
InChI InChI=1S/C34H29NO3/c1-34(2,3)22-13-11-20(12-14-22)19-35-32(36)27-17-15-25-23-9-5-7-21-8-6-10-24(29(21)23)26-16-18-28(33(37)38-4)31(27)30(25)26/h5-18H,19H2,1-4H3,(H,35,36)
InChIKey JBZWELPBJVZVMV-UHFFFAOYSA-N
Mol Weight 499.6 g/mol
Molecular Formula C34H29NO3
Exact Mass 499.214744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GSBAu4OcZs0
Name Methyl 4-[4'-(T-butylphenyl)methylcarbamoyl]perylene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 499.214743795 u
Formula C34H29NO3
InChI InChI=1S/C34H29NO3/c1-34(2,3)22-13-11-20(12-14-22)19-35-32(36)27-17-15-25-23-9-5-7-21-8-6-10-24(29(21)23)26-16-18-28(33(37)38-4)31(27)30(25)26/h5-18H,19H2,1-4H3,(H,35,36)
InChIKey JBZWELPBJVZVMV-UHFFFAOYSA-N
Molecular Weight 499.610 g/mol
SMILES C=12C=3C4=CC=CC5=C4C(C2=CC=C(C1C(C(NCC=1C=CC(C(C)(C)C)=CC1)=O)=CC3)C(=O)OC)=CC=C5