![(-)-(4S,5S)-5-{[(tert-butyldiphenylsilyl)oxy]methyl}-1-tosyl-4-[4-(trimethylsilyl)but-3-ynyl]pyrrolidin-2-one](/api/spectrum/E0MPW3gRlKR/structure.png?h=300&w=458 "(-)-(4S,5S)-5-{[(tert-butyldiphenylsilyl)oxy]methyl}-1-tosyl-4-[4-(trimethylsilyl)but-3-ynyl]pyrrolidin-2-one")
| SpectraBase Compound ID | 4VL0JId9FJi |
|---|---|
| InChI | InChI=1S/C35H45NO4SSi2/c1-28-21-23-30(24-22-28)41(38,39)36-33(29(26-34(36)37)16-14-15-25-42(5,6)7)27-40-43(35(2,3)4,31-17-10-8-11-18-31)32-19-12-9-13-20-32/h8-13,17-24,29,33H,14,16,26-27H2,1-7H3/t29-,33+/m0/s1 |
| InChIKey | ZCZLDCKQOFOUCP-RYCFQHDISA-N |
| Mol Weight | 632.0 g/mol |
| Molecular Formula | C35H45NO4SSi2 |
| Exact Mass | 631.260783 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E0MPW3gRlKR |
|---|---|
| Name | (-)-(4S,5S)-5-{[(tert-butyldiphenylsilyl)oxy]methyl}-1-tosyl-4-[4-(trimethylsilyl)but-3-ynyl]pyrrolidin-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 631.260783173 u |
| Formula | C35H45NO4SSi2 |
| InChI | InChI=1S/C35H45NO4SSi2/c1-28-21-23-30(24-22-28)41(38,39)36-33(29(26-34(36)37)16-14-15-25-42(5,6)7)27-40-43(35(2,3)4,31-17-10-8-11-18-31)32-19-12-9-13-20-32/h8-13,17-24,29,33H,14,16,26-27H2,1-7H3/t29-,33+/m0/s1 |
| InChIKey | ZCZLDCKQOFOUCP-RYCFQHDISA-N |
| Molecular Weight | 631.978 g/mol |
| SMILES | C1(S(N2C(C[C@@]([C@]2(CO[Si](C(C)(C)C)(C=2C=CC=CC2)C2=CC=CC=C2)[H])(CCC#C[Si](C)(C)C)[H])=O)(=O)=O)=CC=C(C=C1)C |