SpectraBase Compound ID | 35SFRbKilkg |
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InChI | InChI=1S/C28H35N3O2/c1-18(2)25(27(33)30-17-19-4-3-9-29-16-19)31-26(32)23-5-7-24(8-6-23)28-13-20-10-21(14-28)12-22(11-20)15-28/h3-9,16,18,20-22,25H,10-15,17H2,1-2H3,(H,30,33)(H,31,32)/t20-,21+,22-,25?,28- |
InChIKey | BBYIYPJGMLDLIZ-XSVIHUHNSA-N |
Mol Weight | 445.6 g/mol |
Molecular Formula | C28H35N3O2 |
Exact Mass | 445.272927 g/mol |
SpectraBase Spectrum ID | IeUbMxe7jbT |
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Name | 4-(1-adamantyl)-N-(2-methyl-1-{[(3-pyridinylmethyl)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/c1-18(2)25(27(33)30-17-19-4-3-9-29-16-19)31-26(32)23-5-7-24(8-6-23)28-13-20-10-21(14-28)12-22(11-20)15-28/h3-9,16,18,20-22,25H,10-15,17H2,1-2H3,(H,30,33)(H,31,32)/t20-,21+,22-,25?,28- |
InChIKey | BBYIYPJGMLDLIZ-XSVIHUHNSA-N |
Molecular Weight | 445.607 g/mol |
NMR Offset | 18.4068 |
NMR Spectrometer Frequency | 500.137 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_9237 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13229071 |