| SpectraBase Compound ID | LiZ2qVBQwtk |
|---|---|
| InChI | InChI=1S/C22H27BrN4O2/c1-2-29-18-6-4-3-5-17(18)12-24-19(28)21-8-15-7-16(9-21)11-22(10-15,13-21)27-14-25-20(23)26-27/h3-6,14-16H,2,7-13H2,1H3,(H,24,28)/t15-,16+,21+,22- |
| InChIKey | WVOQAFXMESUOTC-WGKKAQPQSA-N |
| Mol Weight | 459.39 g/mol |
| Molecular Formula | C22H27BrN4O2 |
| Exact Mass | 458.131739 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | JKfPZFnLaqY |
|---|---|
| Name | 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2-ethoxybenzyl)-1-adamantanecarboxamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.131739123 u |
| Formula | C22H27BrN4O2 |
| InChI | InChI=1S/C22H27BrN4O2/c1-2-29-18-6-4-3-5-17(18)12-24-19(28)21-8-15-7-16(9-21)11-22(10-15,13-21)27-14-25-20(23)26-27/h3-6,14-16H,2,7-13H2,1H3,(H,24,28)/t15-,16+,21+,22- |
| InChIKey | WVOQAFXMESUOTC-WGKKAQPQSA-N |
| Molecular Weight | 459.388 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_3386 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12289104 |