| SpectraBase Compound ID | LfijvWLTxCJ |
|---|---|
| InChI | InChI=1S/C31H42N4O4/c1-20(2)18-26-29(36)32-17-16-23-12-14-25(15-13-23)39-28(21(3)4)27(30(37)33-26)34-31(38)35(6)22(5)19-24-10-8-7-9-11-24/h7-17,20-22,26-28H,18-19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/b17-16-/t22?,26?,27-,28-/m0/s1 |
| InChIKey | WQPZSQCNNSYPRF-WGOHGPOUSA-N |
| Mol Weight | 534.7 g/mol |
| Molecular Formula | C31H42N4O4 |
| Exact Mass | 534.320606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H3xjvMixEAM |
|---|---|
| Name | Frangufoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 534.320605844 u |
| Formula | C31H42N4O4 |
| InChI | InChI=1S/C31H42N4O4/c1-20(2)18-26-29(36)32-17-16-23-12-14-25(15-13-23)39-28(21(3)4)27(30(37)33-26)34-31(38)35(6)22(5)19-24-10-8-7-9-11-24/h7-17,20-22,26-28H,18-19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/b17-16-/t22?,26?,27-,28-/m0/s1 |
| InChIKey | WQPZSQCNNSYPRF-WGOHGPOUSA-N |
| Molecular Weight | 534.701 g/mol |
| SMILES | [C@@]1(C(NC(C(N\C=C/C2=CC=C(O[C@]1(C(C)C)[H])C=C2)=O)CC(C)C)=O)(NC(N(C(CC=1C=CC=CC1)C)C)=O)[H] |