| SpectraBase Compound ID | 34xayTPJoi6 |
|---|---|
| InChI | InChI=1S/C21H22ClNO2/c22-17-3-1-2-16(9-17)18-4-5-19(25-18)20(24)23-21-10-13-6-14(11-21)8-15(7-13)12-21/h1-5,9,13-15H,6-8,10-12H2,(H,23,24)/t13-,14+,15-,21- |
| InChIKey | MADGIGQIDCSCEG-FZUGUKJMSA-N |
| Mol Weight | 355.87 g/mol |
| Molecular Formula | C21H22ClNO2 |
| Exact Mass | 355.133907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DHCOJyQ947P |
|---|---|
| Name | N-(1-Adamantyl)-5-(3-chlorophenyl)-2-furamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.133906650 u |
| Formula | C21H22ClNO2 |
| InChI | InChI=1S/C21H22ClNO2/c22-17-3-1-2-16(9-17)18-4-5-19(25-18)20(24)23-21-10-13-6-14(11-21)8-15(7-13)12-21/h1-5,9,13-15H,6-8,10-12H2,(H,23,24)/t13-,14+,15-,21- |
| InChIKey | MADGIGQIDCSCEG-FZUGUKJMSA-N |
| Molecular Weight | 355.865 g/mol |
| SMILES | N(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(C=1OC(C=2C=C(Cl)C=CC2)=CC1)=O |