SpectraBase Compound ID | LjCzAzFsRk3 |
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InChI | InChI=1S/C26H31N3O/c30-26(22-14-5-2-6-15-22)27-19-9-18-25-28-23-16-7-8-17-24(23)29(25)20-10-13-21-11-3-1-4-12-21/h1,3-4,7-8,10-13,16-17,22H,2,5-6,9,14-15,18-20H2,(H,27,30)/b13-10+ |
InChIKey | QDMRNHHVXRHWDL-JLHYYAGUSA-N |
Mol Weight | 401.55 g/mol |
Molecular Formula | C26H31N3O |
Exact Mass | 401.246713 g/mol |
SpectraBase Spectrum ID | 7uj2lz6Er1E |
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Name | cyclohexanecarboxamide, N-[3-[1-[(2E)-3-phenyl-2-propenyl]-1H-benzimidazol-2-yl]propyl]- |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 401.246712629 u |
Formula | C26H31N3O |
InChI | InChI=1S/C26H31N3O/c30-26(22-14-5-2-6-15-22)27-19-9-18-25-28-23-16-7-8-17-24(23)29(25)20-10-13-21-11-3-1-4-12-21/h1,3-4,7-8,10-13,16-17,22H,2,5-6,9,14-15,18-20H2,(H,27,30)/b13-10+ |
InChIKey | QDMRNHHVXRHWDL-JLHYYAGUSA-N |
Molecular Weight | 401.554 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2021_8666 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13309471 |