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3,4-Perylenedicarboximide

View entire compound with spectra: 1 FTIR, 1 Raman, and 1 MS (GC)

3,4-Perylenedicarboximide
SpectraBase Compound ID ARTSWRj1ES2
InChI InChI=1S/C22H11NO2/c24-21-16-9-7-14-12-5-1-3-11-4-2-6-13(18(11)12)15-8-10-17(22(25)23-21)20(16)19(14)15/h1-10H,(H,23,24,25)
InChIKey LBOJSACZVLWUHN-UHFFFAOYSA-N
Mol Weight 321.34 g/mol
Molecular Formula C22H11NO2
Exact Mass 321.078979 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 96F4bZXMCjq
Name 3,4-Perylenedicarboximide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.078978596 u
Formula C22H11NO2
InChI InChI=1S/C22H11NO2/c24-21-16-9-7-14-12-5-1-3-11-4-2-6-13(18(11)12)15-8-10-17(22(25)23-21)20(16)19(14)15/h1-10H,(H,23,24,25)
InChIKey LBOJSACZVLWUHN-UHFFFAOYSA-N
Molecular Weight 321.335 g/mol
SMILES N1C(C2=CC=C3C4=CC=CC5=C4C(C=4C3=C2C(C1=O)=CC4)=CC=C5)=O
Spectrum/Structure Validation Score (Raman) 0.958939