![4-(1-adamantyl)-N-(2-methyl-1-{[(6-methyl-2-pyridinyl)amino]carbonyl}propyl)benzamide](/api/spectrum/JNGE6UA3vuP/structure.png?h=300&w=458 "4-(1-adamantyl)-N-(2-methyl-1-{[(6-methyl-2-pyridinyl)amino]carbonyl}propyl)benzamide")
| SpectraBase Compound ID | 9OB7rPbcMmM |
|---|---|
| InChI | InChI=1S/C28H35N3O2/c1-17(2)25(27(33)30-24-6-4-5-18(3)29-24)31-26(32)22-7-9-23(10-8-22)28-14-19-11-20(15-28)13-21(12-19)16-28/h4-10,17,19-21,25H,11-16H2,1-3H3,(H,31,32)(H,29,30,33)/t19-,20+,21-,25?,28- |
| InChIKey | NTSACAVBFVGKDN-NVAGXVRESA-N |
| Mol Weight | 445.6 g/mol |
| Molecular Formula | C28H35N3O2 |
| Exact Mass | 445.272927 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | JNGE6UA3vuP |
|---|---|
| Name | 4-(1-adamantyl)-N-(2-methyl-1-{[(6-methyl-2-pyridinyl)amino]carbonyl}propyl)benzamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 445.272927377 u |
| Formula | C28H35N3O2 |
| InChI | InChI=1S/C28H35N3O2/c1-17(2)25(27(33)30-24-6-4-5-18(3)29-24)31-26(32)22-7-9-23(10-8-22)28-14-19-11-20(15-28)13-21(12-19)16-28/h4-10,17,19-21,25H,11-16H2,1-3H3,(H,31,32)(H,29,30,33)/t19-,20+,21-,25?,28- |
| InChIKey | NTSACAVBFVGKDN-NVAGXVRESA-N |
| Molecular Weight | 445.607 g/mol |
| NMR Offset | 18.4066 |
| NMR Spectrometer Frequency | 500.137 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_9238 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13229072 |