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1-(3-Methylphenyl)-4-(1-octadecyl-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one

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1-(3-Methylphenyl)-4-(1-octadecyl-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one
SpectraBase Compound ID 8vHkqYf8w31
InChI InChI=1S/C36H53N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-38-34-25-19-18-24-33(34)37-36(38)31-28-35(40)39(29-31)32-23-21-22-30(2)27-32/h18-19,21-25,27,31H,3-17,20,26,28-29H2,1-2H3
InChIKey RCXHUNAPIUXBEG-UHFFFAOYSA-N
Mol Weight 543.8 g/mol
Molecular Formula C36H53N3O
Exact Mass 543.418863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AFCDlxohEzw
Name 1-(3-Methylphenyl)-4-(1-octadecyl-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 543.418863338 u
Formula C36H53N3O
InChI InChI=1S/C36H53N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-38-34-25-19-18-24-33(34)37-36(38)31-28-35(40)39(29-31)32-23-21-22-30(2)27-32/h18-19,21-25,27,31H,3-17,20,26,28-29H2,1-2H3
InChIKey RCXHUNAPIUXBEG-UHFFFAOYSA-N
Molecular Weight 543.840 g/mol
SMILES C=1C=C2C(N(CCCCCCCCCCCCCCCCCC)C(C3CN(C(C3)=O)C=3C=C(C=CC3)C)=N2)=CC1