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2-Octadecyl-1H-isoindole-1,3(2H)-dione

View entire compound with spectra: 1 NMR

2-Octadecyl-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID BWUtXLJXbUI
InChI InChI=1S/C26H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-25(28)23-20-17-18-21-24(23)26(27)29/h17-18,20-21H,2-16,19,22H2,1H3
InChIKey BCZUGMNWRQGHFP-UHFFFAOYSA-N
Mol Weight 399.6 g/mol
Molecular Formula C26H41NO2
Exact Mass 399.31373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F50VhBDfg8w
Name 2-Octadecyl-1H-isoindole-1,3(2H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.313729562 u
Formula C26H41NO2
InChI InChI=1S/C26H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-25(28)23-20-17-18-21-24(23)26(27)29/h17-18,20-21H,2-16,19,22H2,1H3
InChIKey BCZUGMNWRQGHFP-UHFFFAOYSA-N
Molecular Weight 399.619 g/mol
SMILES C1(=O)C2=C(C=CC=C2)C(N1CCCCCCCCCCCCCCCCCC)=O