![N-[2-(1-adamantyl)ethyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide](/api/spectrum/HV1bqK2Req1/structure.png?h=300&w=458 "N-[2-(1-adamantyl)ethyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide")
| SpectraBase Compound ID | IwRk5QMZo6B |
|---|---|
| InChI | InChI=1S/C22H29N3O2S/c1-27-17-2-3-18-19(9-17)25-21(24-18)28-13-20(26)23-5-4-22-10-14-6-15(11-22)8-16(7-14)12-22/h2-3,9,14-16H,4-8,10-13H2,1H3,(H,23,26)(H,24,25)/t14-,15+,16-,22+ |
| InChIKey | DBKFRYUITLSVIJ-YUZJZSIESA-N |
| Mol Weight | 399.55 g/mol |
| Molecular Formula | C22H29N3O2S |
| Exact Mass | 399.198048 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | HV1bqK2Req1 |
|---|---|
| Name | acetamide, 2-[(5-methoxy-1H-benzimidazol-2-yl)thio]-N-(2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)- |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.198048358 u |
| Formula | C22H29N3O2S |
| InChI | InChI=1S/C22H29N3O2S/c1-27-17-2-3-18-19(9-17)25-21(24-18)28-13-20(26)23-5-4-22-10-14-6-15(11-22)8-16(7-14)12-22/h2-3,9,14-16H,4-8,10-13H2,1H3,(H,23,26)(H,24,25)/t14-,15+,16-,22+ |
| InChIKey | DBKFRYUITLSVIJ-YUZJZSIESA-N |
| Molecular Weight | 399.553 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2017_16604 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/11220789; Lab Info: KTS; Lab Number: KTS-0103016 |