![t-Butoxycarbonyl-L-valyl-(2R)-2,5-bis[(t-butyl)dimethylsilyloxy]-homoprolinal - trimethylene dithioacetal](/api/spectrum/96ZXDFUQQhm/structure.png?h=300&w=458 "t-Butoxycarbonyl-L-valyl-(2R)-2,5-bis[(t-butyl)dimethylsilyloxy]-homoprolinal - trimethylene dithioacetal")
| SpectraBase Compound ID | 5mquiM2wipv |
|---|---|
| InChI | InChI=1S/C31H62N2O5S2Si2/c1-21(2)24(32-28(35)36-29(3,4)5)26(34)33-20-22(37-41(12,13)30(6,7)8)19-23(33)25(27-39-17-16-18-40-27)38-42(14,15)31(9,10)11/h21-25,27H,16-20H2,1-15H3,(H,32,35)/t22?,23?,24-,25+/m1/s1 |
| InChIKey | TXTQEUUPPRSGHH-CXMUWEKQSA-N |
| Mol Weight | 663.1 g/mol |
| Molecular Formula | C31H62N2O5S2Si2 |
| Exact Mass | 662.363869 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96ZXDFUQQhm |
|---|---|
| Name | T-Butoxycarbonyl-L-valyl-(2R)-2,5-bis[(T-butyl)dimethylsilyloxy]-homoprolinal - trimethylene dithioacetal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 662.363868517 u |
| Formula | C31H62N2O5S2Si2 |
| InChI | InChI=1S/C31H62N2O5S2Si2/c1-21(2)24(32-28(35)36-29(3,4)5)26(34)33-20-22(37-41(12,13)30(6,7)8)19-23(33)25(27-39-17-16-18-40-27)38-42(14,15)31(9,10)11/h21-25,27H,16-20H2,1-15H3,(H,32,35)/t22?,23?,24-,25+/m1/s1 |
| InChIKey | TXTQEUUPPRSGHH-CXMUWEKQSA-N |
| Molecular Weight | 663.136 g/mol |
| SMILES | C1(N(CC(C1)O[Si](C(C)(C)C)(C)C)C([C@](NC(OC(C)(C)C)=O)(C(C)C)[H])=O)[C@](O[Si](C(C)(C)C)(C)C)(C1SCCCS1)[H] |