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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVLX1m7sjEN
Name 1-(3-Methylphenyl)-4-(1-octadecyl-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one
Alternate Name(s) 2-Pyrrolidinone, 1-(3-methylphenyl)-4-(1-octadecyl-1H-1,3-benzimidazol-2-yl)- 1-(3-Methylphenyl)-4-(1-octadecyl-2-benzimidazolyl)-2-pyrrolidinone 1-(m-tolyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one 1-(3-Methylphenyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 c1cc2c([n](CCCCCCCCCCCCCCCCCC)c(C3CN(C(C3)=O)c3cc(ccc3)C)n2)cc1
SPLASH splash10-00xr-2948320000-0a6f52c736d73e827318
Source of Spectrum IY-2-5210-0
Wiley ID 1660083