![1-[p-[N-Methyl-N-tosylamino]benzoyl]aminoadamantane](/api/spectrum/3xBAvesVotq/structure.png?h=300&w=458 "1-[p-[N-Methyl-N-tosylamino]benzoyl]aminoadamantane")
| SpectraBase Compound ID | BD2R5NHg970 |
|---|---|
| InChI | InChI=1S/C25H30N2O3S/c1-17-3-9-23(10-4-17)31(29,30)27(2)22-7-5-21(6-8-22)24(28)26-25-14-18-11-19(15-25)13-20(12-18)16-25/h3-10,18-20H,11-16H2,1-2H3,(H,26,28)/t18-,19+,20-,25- |
| InChIKey | QRCPQLAKTVDKJJ-UWIHHVNISA-N |
| Mol Weight | 438.59 g/mol |
| Molecular Formula | C25H30N2O3S |
| Exact Mass | 438.197714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3xBAvesVotq |
|---|---|
| Name | 1-[p-[N-Methyl-N-tosylamino]benzoyl]aminoadamantane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.197714005 u |
| Formula | C25H30N2O3S |
| InChI | InChI=1S/C25H30N2O3S/c1-17-3-9-23(10-4-17)31(29,30)27(2)22-7-5-21(6-8-22)24(28)26-25-14-18-11-19(15-25)13-20(12-18)16-25/h3-10,18-20H,11-16H2,1-2H3,(H,26,28)/t18-,19+,20-,25- |
| InChIKey | QRCPQLAKTVDKJJ-UWIHHVNISA-N |
| Molecular Weight | 438.586 g/mol |
| SMILES | [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])NC(=O)C1=CC=C(C=C1)N(C)S(=O)(=O)C1=CC=C(C=C1)C)[H] |