| SpectraBase Compound ID | FsMCEQvbKk6 |
|---|---|
| InChI | InChI=1S/C31H58O8Si4/c1-21(2)20-23-16-18-24(19-17-23)22(3)29(32)35-31-28(38-42(10,11)12)26(37-41(7,8)9)25(36-40(4,5)6)27(34-31)30(33)39-43(13,14)15/h16-19,21-22,25-28,31H,20H2,1-15H3/t22?,25-,26-,27-,28+,31-/m0/s1 |
| InChIKey | PSKMFKLHVHNRPS-WBUMITMSSA-N |
| Mol Weight | 671.1 g/mol |
| Molecular Formula | C31H58O8Si4 |
| Exact Mass | 670.320875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8oZ3Ln4Ej7r |
|---|---|
| Name | Ibuprofen glucuronide, 4O-tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 670.320874960 u |
| Formula | C31H58O8Si4 |
| InChI | InChI=1S/C31H58O8Si4/c1-21(2)20-23-16-18-24(19-17-23)22(3)29(32)35-31-28(38-42(10,11)12)26(37-41(7,8)9)25(36-40(4,5)6)27(34-31)30(33)39-43(13,14)15/h16-19,21-22,25-28,31H,20H2,1-15H3/t22?,25-,26-,27-,28+,31-/m0/s1 |
| InChIKey | PSKMFKLHVHNRPS-WBUMITMSSA-N |
| Molecular Weight | 671.137 g/mol |
| SMILES | C(C)(C)CC1=CC=C(C=C1)C(C)C(=O)O[C@]1([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(C(=O)O[Si](C)(C)C)[H])[H])[H])[H])[H] |