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4-[2-(1H-benzimidazol-2-yl)phenyl]imino-2,6-ditert-butyl-1-cyclohexa-2,5-dienone
SpectraBase Compound ID 5LrHUnDLZzr
InChI InChI=1S/C27H29N3O/c1-26(2,3)19-15-17(16-20(24(19)31)27(4,5)6)28-21-12-8-7-11-18(21)25-29-22-13-9-10-14-23(22)30-25/h7-16H,1-6H3,(H,29,30)
InChIKey KEZPDAVVGVYFHV-UHFFFAOYSA-N
Mol Weight 411.55 g/mol
Molecular Formula C27H29N3O
Exact Mass 411.231063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZesGqMPTSa
Name 4-[2-(1H-benzimidazol-2-yl)phenyl]imino-2,6-ditert-butyl-1-cyclohexa-2,5-dienone
Alternate Name(s) 4-[2-(1H-benzimidazol-2-yl)phenyl]imino-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29N3O
InChI InChI=1S/C27H29N3O/c1-26(2,3)19-15-17(16-20(24(19)31)27(4,5)6)28-21-12-8-7-11-18(21)25-29-22-13-9-10-14-23(22)30-25/h7-16H,1-6H3,(H,29,30)
InChIKey KEZPDAVVGVYFHV-UHFFFAOYSA-N
Molecular Weight 411.549 g/mol
SMILES [nH]1c2ccccc2nc1-c1c(cccc1)N=C1C=C(C(C(=C1)C(C)(C)C)=O)C(C)(C)C
SPLASH splash10-03dm-6659400000-5c87aea54316935f7821
Wiley ID 1438330