![2-[3-Acetoxy-1-(4-methoxybenzyl)-5-oxopyrrolidin-2-yl]-7-tert-butyldiphenylsilyloxy-3-oxooctanoic acid methyl ester](/api/spectrum/BGnpy6VrhnL/structure.png?h=300&w=458 "2-[3-Acetoxy-1-(4-methoxybenzyl)-5-oxopyrrolidin-2-yl]-7-tert-butyldiphenylsilyloxy-3-oxooctanoic acid methyl ester")
| SpectraBase Compound ID | I8A8AgfYNnj |
|---|---|
| InChI | InChI=1S/C39H49NO8Si/c1-27(48-49(39(3,4)5,31-16-10-8-11-17-31)32-18-12-9-13-19-32)15-14-20-33(42)36(38(44)46-7)37-34(47-28(2)41)25-35(43)40(37)26-29-21-23-30(45-6)24-22-29/h8-13,16-19,21-24,27,34,36-37H,14-15,20,25-26H2,1-7H3 |
| InChIKey | PTNAZXXLJLNWSJ-UHFFFAOYSA-N |
| Mol Weight | 687.9 g/mol |
| Molecular Formula | C39H49NO8Si |
| Exact Mass | 687.322744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BGnpy6VrhnL |
|---|---|
| Name | 2-[3-Acetoxy-1-(4-methoxybenzyl)-5-oxopyrrolidin-2-yl]-7-tert-butyldiphenylsilyloxy-3-oxooctanoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 687.322744069 u |
| Formula | C39H49NO8Si |
| InChI | InChI=1S/C39H49NO8Si/c1-27(48-49(39(3,4)5,31-16-10-8-11-17-31)32-18-12-9-13-19-32)15-14-20-33(42)36(38(44)46-7)37-34(47-28(2)41)25-35(43)40(37)26-29-21-23-30(45-6)24-22-29/h8-13,16-19,21-24,27,34,36-37H,14-15,20,25-26H2,1-7H3 |
| InChIKey | PTNAZXXLJLNWSJ-UHFFFAOYSA-N |
| SMILES | C1(N(C(CC1OC(=O)C)=O)CC1=CC=C(C=C1)OC)C(C(=O)OC)C(=O)CCCC(O[Si](C(C)(C)C)(C1=CC=CC=C1)C=1C=CC=CC1)C |