| SpectraBase Compound ID | ENUQ0YG9cmS |
|---|---|
| InChI | InChI=1S/C28H36N2O2/c31-25(29-27-11-17-5-18(12-27)7-19(6-17)13-27)23-3-1-2-4-24(23)26(32)30-28-14-20-8-21(15-28)10-22(9-20)16-28/h1-4,17-22H,5-16H2,(H,29,31)(H,30,32)/t17-,18+,19-,20-,21+,22-,27-,28- |
| InChIKey | NKDWZSJQWBVOBD-ZVLVXWACSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C28H36N2O2 |
| Exact Mass | 432.277678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IFjzUv4cFCE |
|---|---|
| Name | N~1~,N~2~-di(1-Adamantyl)phthalamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.277678405 u |
| Formula | C28H36N2O2 |
| InChI | InChI=1S/C28H36N2O2/c31-25(29-27-11-17-5-18(12-27)7-19(6-17)13-27)23-3-1-2-4-24(23)26(32)30-28-14-20-8-21(15-28)10-22(9-20)16-28/h1-4,17-22H,5-16H2,(H,29,31)(H,30,32)/t17-,18+,19-,20-,21+,22-,27-,28- |
| InChIKey | NKDWZSJQWBVOBD-ZVLVXWACSA-N |
| Molecular Weight | 432.608 g/mol |
| SMILES | N(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(C1=C(C(NC23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])=O)C=CC=C1)=O |