![N-(1-adamantyl)-2-({4-allyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide](/api/spectrum/6MmHiAMZauK/structure.png?h=300&w=458 "N-(1-adamantyl)-2-({4-allyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide")
| SpectraBase Compound ID | ADV5MzYPJMm |
|---|---|
| InChI | InChI=1S/C27H33N5OS/c1-3-8-32-24(12-22-17(2)28-23-7-5-4-6-21(22)23)30-31-26(32)34-16-25(33)29-27-13-18-9-19(14-27)11-20(10-18)15-27/h3-7,18-20,28H,1,8-16H2,2H3,(H,29,33)/t18-,19+,20-,27- |
| InChIKey | FRDIYLFRQPYTAK-ACFKOILWSA-N |
| Mol Weight | 475.7 g/mol |
| Molecular Formula | C27H33N5OS |
| Exact Mass | 475.240582 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 6MmHiAMZauK |
|---|---|
| Name | N-(1-adamantyl)-2-({4-allyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 475.240581876 u |
| Formula | C27H33N5OS |
| InChI | InChI=1S/C27H33N5OS/c1-3-8-32-24(12-22-17(2)28-23-7-5-4-6-21(22)23)30-31-26(32)34-16-25(33)29-27-13-18-9-19(14-27)11-20(10-18)15-27/h3-7,18-20,28H,1,8-16H2,2H3,(H,29,33)/t18-,19+,20-,27- |
| InChIKey | FRDIYLFRQPYTAK-ACFKOILWSA-N |
| Molecular Weight | 475.655 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_5887 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12319407 |