| SpectraBase Compound ID | CyTI2kqZFdS |
|---|---|
| InChI | InChI=1S/C32H65NO5Si4/c1-14-15-18-21-27(35-39(2,3)4)24-25-29-28(30(34)26-31(29)36-40(5,6)7)22-19-16-17-20-23-32(37-41(8,9)10)33-38-42(11,12)13/h19,22,24-25,27-29,31H,14-18,20-21,23,26H2,1-13H3/b22-19+,25-24+,33-32+ |
| InChIKey | YJLXOPJUYAGDAG-MCZMTJRQSA-N |
| Mol Weight | 656.2 g/mol |
| Molecular Formula | C32H65NO5Si4 |
| Exact Mass | 655.39398 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Sk6sJ0dk7Y |
|---|---|
| Name | Prostaglandin E-2 oxime 4tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 655.393980332 u |
| Formula | C32H65NO5Si4 |
| InChI | InChI=1S/C32H65NO5Si4/c1-14-15-18-21-27(35-39(2,3)4)24-25-29-28(30(34)26-31(29)36-40(5,6)7)22-19-16-17-20-23-32(37-41(8,9)10)33-38-42(11,12)13/h19,22,24-25,27-29,31H,14-18,20-21,23,26H2,1-13H3/b22-19+,25-24+,33-32+ |
| InChIKey | YJLXOPJUYAGDAG-MCZMTJRQSA-N |
| Molecular Weight | 656.214 g/mol |
| SMILES | C1(C(\C=C\C(O[Si](C)(C)C)CCCCC)C(\C=C\CCCC\C(=N/O[Si](C)(C)C)O[Si](C)(C)C)C(C1)=O)O[Si](C)(C)C |