![3-[(4-Isopropoxyanilino)carbonyl]phenyl 1-adamantanecarboxylate](/api/spectrum/8Lo1DNRPDki/structure.png?h=300&w=458 "3-[(4-Isopropoxyanilino)carbonyl]phenyl 1-adamantanecarboxylate")
| SpectraBase Compound ID | DLwMvhlEKjV |
|---|---|
| InChI | InChI=1S/C27H31NO4/c1-17(2)31-23-8-6-22(7-9-23)28-25(29)21-4-3-5-24(13-21)32-26(30)27-14-18-10-19(15-27)12-20(11-18)16-27/h3-9,13,17-20H,10-12,14-16H2,1-2H3,(H,28,29)/t18-,19+,20-,27- |
| InChIKey | NWIACDVRWGHNAT-ACFKOILWSA-N |
| Mol Weight | 433.55 g/mol |
| Molecular Formula | C27H31NO4 |
| Exact Mass | 433.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Lo1DNRPDki |
|---|---|
| Name | 3-[(4-Isopropoxyanilino)carbonyl]phenyl 1-adamantanecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 433.225308478 u |
| Formula | C27H31NO4 |
| InChI | InChI=1S/C27H31NO4/c1-17(2)31-23-8-6-22(7-9-23)28-25(29)21-4-3-5-24(13-21)32-26(30)27-14-18-10-19(15-27)12-20(11-18)16-27/h3-9,13,17-20H,10-12,14-16H2,1-2H3,(H,28,29)/t18-,19+,20-,27- |
| InChIKey | NWIACDVRWGHNAT-ACFKOILWSA-N |
| Molecular Weight | 433.548 g/mol |
| SMILES | N(C(C1=CC(OC(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])=O)=CC=C1)=O)C=1C=CC(OC(C)C)=CC1 |