![2-((1R,6S)-1-((S)-1-((tert-butyldimethylsilyl)oxy)-3-(4-methoxyphenyl)prop-2-yn-1-yl)-7-azabicyclo[4.1.0]heptan-7-yl)isoindoline-1,3-dione](/api/spectrum/BDIeGdrKxdm/structure.png?h=300&w=458 "2-((1R,6S)-1-((S)-1-((tert-butyldimethylsilyl)oxy)-3-(4-methoxyphenyl)prop-2-yn-1-yl)-7-azabicyclo[4.1.0]heptan-7-yl)isoindoline-1,3-dione")
| SpectraBase Compound ID | HPBfkirTkTM |
|---|---|
| InChI | InChI=1S/C30H36N2O4Si/c1-29(2,3)37(5,6)36-26(19-16-21-14-17-22(35-4)18-15-21)30-20-10-9-13-25(30)32(30)31-27(33)23-11-7-8-12-24(23)28(31)34/h7-8,11-12,14-15,17-18,25-26H,9-10,13,20H2,1-6H3/t25-,26?,30+,32?/m0/s1 |
| InChIKey | DQMMSQQBCLMEHX-UPUOQDIWSA-N |
| Mol Weight | 516.7 g/mol |
| Molecular Formula | C30H36N2O4Si |
| Exact Mass | 516.244434 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BDIeGdrKxdm |
|---|---|
| Name | 2-((1R,6S)-1-((S)-1-((tert-butyldimethylsilyl)oxy)-3-(4-methoxyphenyl)prop-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 | C30H36N2O4Si |
| InChI | InChI=1S/C30H36N2O4Si/c1-29(2,3)37(5,6)36-26(19-16-21-14-17-22(35-4)18-15-21)30-20-10-9-13-25(30)32(30)31-27(33)23-11-7-8-12-24(23)28(31)34/h7-8,11-12,14-15,17-18,25-26H,9-10,13,20H2,1-6H3/t25-,26?,30+,32?/m0/s1 |
| InChIKey | DQMMSQQBCLMEHX-UPUOQDIWSA-N |
| Literature Reference DOI | 10.1021/ol901649p |
| Molecular Weight | 516.713 g/mol |
| SMILES | c12ccccc2C(N(N2[C@]3(CCCC[C@@]23C(C#Cc2ccc(cc2)OC)O[Si](C(C)(C)C)(C)C)[H])C1=O)=O |
| SPLASH | splash10-00fr-9360000000-fc3e57a0fc988c5a1f80 |
| Source of Spectrum | A1-11-4002/SM11-6b |
| Wiley ID | 1757381 |