| SpectraBase Compound ID | 22VRraOH6qb |
|---|---|
| InChI | InChI=1S/C25H42O5Si/c1-18(26)28-17-19-10-11-20-22(2,3)12-9-13-24(20,5)25(19)15-14-23(4,30-25)16-21(27)29-31(6,7)8/h10,20H,9,11-17H2,1-8H3/t20-,23-,24-,25-/m0/s1 |
| InChIKey | RXYGEMMYGIZDBU-VDVKDMFPSA-N |
| Mol Weight | 450.7 g/mol |
| Molecular Formula | C25H42O5Si |
| Exact Mass | 450.280151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9KVxRbGsIMB |
|---|---|
| Name | 17-Acetoxygrindelic acid, tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 450.280150982 u |
| Formula | C25H42O5Si |
| InChI | InChI=1S/C25H42O5Si/c1-18(26)28-17-19-10-11-20-22(2,3)12-9-13-24(20,5)25(19)15-14-23(4,30-25)16-21(27)29-31(6,7)8/h10,20H,9,11-17H2,1-8H3/t20-,23-,24-,25-/m0/s1 |
| InChIKey | RXYGEMMYGIZDBU-VDVKDMFPSA-N |
| Molecular Weight | 450.691 g/mol |
| SMILES | [C@@]12(O[C@@](CC2)(CC(=O)O[Si](C)(C)C)C)C(=CC[C@@]2([C@]1(C)CCCC2(C)C)[H])COC(=O)C |