| SpectraBase Compound ID | 16xNPsFrLJj |
|---|---|
| InChI | InChI=1S/C30H32N2O4/c1-22(34)36-21-28(24-12-6-3-7-13-24)31-30(35)18-25(16-17-33)27-20-32(19-23-10-4-2-5-11-23)29-15-9-8-14-26(27)29/h2-15,20,25,28,33H,16-19,21H2,1H3,(H,31,35)/t25?,28-/m0/s1 |
| InChIKey | PSFHWNFDSOQEQY-NMXAJACMSA-N |
| Mol Weight | 484.6 g/mol |
| Molecular Formula | C30H32N2O4 |
| Exact Mass | 484.236208 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ASvbPXbT2lN |
|---|---|
| Name | N-(R)-(2'-Acetoxy-1'-phenylethyl)-4-(1''-benzyl-2''-indolyl)-5-hydroxypentanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 484.236207514 u |
| Formula | C30H32N2O4 |
| InChI | InChI=1S/C30H32N2O4/c1-22(34)36-21-28(24-12-6-3-7-13-24)31-30(35)18-25(16-17-33)27-20-32(19-23-10-4-2-5-11-23)29-15-9-8-14-26(27)29/h2-15,20,25,28,33H,16-19,21H2,1H3,(H,31,35)/t25?,28-/m0/s1 |
| InChIKey | PSFHWNFDSOQEQY-NMXAJACMSA-N |
| Molecular Weight | 484.596 g/mol |
| SMILES | C=1N(C2=C(C1C(CC(N[C@@](COC(=O)C)(C=1C=CC=CC1)[H])=O)CCO)C=CC=C2)CC1=CC=CC=C1 |