![2-((1R,6S)-1-((S)-1-((tert-butyldimethylsilyl)oxy)-3-cyclopropylprop-2-yn-1-yl)-7-azabicyclo[4.1.0]heptan-7-yl)isoindoline-1,3-dione](/api/spectrum/5ZupR9VwO35/structure.png?h=300&w=458 "2-((1R,6S)-1-((S)-1-((tert-butyldimethylsilyl)oxy)-3-cyclopropylprop-2-yn-1-yl)-7-azabicyclo[4.1.0]heptan-7-yl)isoindoline-1,3-dione")
| SpectraBase Compound ID | D72WE83zSOD |
|---|---|
| InChI | InChI=1S/C26H34N2O3Si/c1-25(2,3)32(4,5)31-22(16-15-18-13-14-18)26-17-9-8-12-21(26)28(26)27-23(29)19-10-6-7-11-20(19)24(27)30/h6-7,10-11,18,21-22H,8-9,12-14,17H2,1-5H3/t21-,22?,26+,28?/m0/s1 |
| InChIKey | KZIRLXRKPRPWGC-MNHZWBBZSA-N |
| Mol Weight | 450.7 g/mol |
| Molecular Formula | C26H34N2O3Si |
| Exact Mass | 450.233869 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5ZupR9VwO35 |
|---|---|
| Name | 2-((1R,6S)-1-((S)-1-((tert-butyldimethylsilyl)oxy)-3-cyclopropylprop-2-yn-1-yl)-7-azabicyclo[4.1.0]heptan-7-yl)isoindoline-1,3-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H34N2O3Si |
| InChI | InChI=1S/C26H34N2O3Si/c1-25(2,3)32(4,5)31-22(16-15-18-13-14-18)26-17-9-8-12-21(26)28(26)27-23(29)19-10-6-7-11-20(19)24(27)30/h6-7,10-11,18,21-22H,8-9,12-14,17H2,1-5H3/t21-,22?,26+,28?/m0/s1 |
| InChIKey | KZIRLXRKPRPWGC-MNHZWBBZSA-N |
| Literature Reference DOI | 10.1021/ol901649p |
| Molecular Weight | 450.654 g/mol |
| SMILES | c12ccccc1C(N(N1[C@]3(CCCC[C@@]13C(O[Si](C(C)(C)C)(C)C)C#CC1CC1)[H])C2=O)=O |
| SPLASH | splash10-0fb9-9410000000-8285b3f2cc9992c0755b |
| Source of Spectrum | A1-11-4002/SM12-6e |
| Wiley ID | 1757384 |