![N-[1-(1-adamantyl)propyl]-4-(benzenesulfonyl)benzamide](/api/spectrum/52huFxN17TP/structure.png?h=300&w=458 "N-[1-(1-adamantyl)propyl]-4-(benzenesulfonyl)benzamide")
| SpectraBase Compound ID | K85eJGrRnLr |
|---|---|
| InChI | InChI=1S/C26H31NO3S/c1-2-24(26-15-18-12-19(16-26)14-20(13-18)17-26)27-25(28)21-8-10-23(11-9-21)31(29,30)22-6-4-3-5-7-22/h3-11,18-20,24H,2,12-17H2,1H3,(H,27,28)/t18-,19+,20-,24?,26- |
| InChIKey | KLTZAZPJHPOFPO-JSYVLVHPSA-N |
| Mol Weight | 437.6 g/mol |
| Molecular Formula | C26H31NO3S |
| Exact Mass | 437.202465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52huFxN17TP |
|---|---|
| Name | N-[1-(1-Adamantyl)propyl]-4-(benzenesulfonyl)benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 437.202465033 u |
| Formula | C26H31NO3S |
| InChI | InChI=1S/C26H31NO3S/c1-2-24(26-15-18-12-19(16-26)14-20(13-18)17-26)27-25(28)21-8-10-23(11-9-21)31(29,30)22-6-4-3-5-7-22/h3-11,18-20,24H,2,12-17H2,1H3,(H,27,28)/t18-,19+,20-,24?,26- |
| InChIKey | KLTZAZPJHPOFPO-JSYVLVHPSA-N |
| Molecular Weight | 437.598 g/mol |
| SMILES | C1=CC=C(S(C=2C=CC(C(NC(C34C[C@]5(C[C@@](C4)(C[C@@](C3)(C5)[H])[H])[H])CC)=O)=CC2)(=O)=O)C=C1 |