| SpectraBase Compound ID | GQF3CnRP1lH |
|---|---|
| InChI | InChI=1S/C34H57NO5Si2/c1-9-10-14-21-29(39-41(3,4)5)24-25-30-31(22-17-11-12-18-23-34(36)37-2)33(40-42(6,7)8)26-32(30)35-38-27-28-19-15-13-16-20-28/h11,13,15-17,19-20,24-25,29-31,33H,9-10,12,14,18,21-23,26-27H2,1-8H3/b17-11-,25-24+,35-32+/t29-,30?,31-,33+/m0/s1 |
| InChIKey | KLYTYOOFIDWAOZ-ZYVXKRCRSA-N |
| Mol Weight | 616.0 g/mol |
| Molecular Formula | C34H57NO5Si2 |
| Exact Mass | 615.377527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IfmFB4Fsbyd |
|---|---|
| Name | Prostaglandin D-2 bz oxime methyl ester 2tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 615.377527004 u |
| Formula | C34H57NO5Si2 |
| InChI | InChI=1S/C34H57NO5Si2/c1-9-10-14-21-29(39-41(3,4)5)24-25-30-31(22-17-11-12-18-23-34(36)37-2)33(40-42(6,7)8)26-32(30)35-38-27-28-19-15-13-16-20-28/h11,13,15-17,19-20,24-25,29-31,33H,9-10,12,14,18,21-23,26-27H2,1-8H3/b17-11-,25-24+,35-32+/t29-,30?,31-,33+/m0/s1 |
| InChIKey | KLYTYOOFIDWAOZ-ZYVXKRCRSA-N |
| Molecular Weight | 616.002 g/mol |
| SMILES | C1(\C(C[C@]([C@]1(C\C=C/CCCC(=O)OC)[H])(O[Si](C)(C)C)[H])=N\OCC1=CC=CC=C1)\C=C\[C@@](O[Si](C)(C)C)(CCCCC)[H] |