| SpectraBase Compound ID | LB7HnMk9KuV |
|---|---|
| InChI | InChI=1S/C29H59NO7Si5/c1-38(2,3)30-28(31)24(22-19-17-16-18-20-22)34-29-27(37-42(13,14)15)26(36-41(10,11)12)25(35-40(7,8)9)23(33-29)21-32-39(4,5)6/h16-20,23-27,29H,21H2,1-15H3,(H,30,31)/t23-,24-,25-,26+,27-,29+/m1/s1 |
| InChIKey | KANUWBXNPWWCJH-NPMLQSMXSA-N |
| Mol Weight | 674.2 g/mol |
| Molecular Formula | C29H59NO7Si5 |
| Exact Mass | 673.313786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IuCTSAgCADu |
|---|---|
| Name | Prunasinamide, 5tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 673.313785912 u |
| Formula | C29H59NO7Si5 |
| InChI | InChI=1S/C29H59NO7Si5/c1-38(2,3)30-28(31)24(22-19-17-16-18-20-22)34-29-27(37-42(13,14)15)26(36-41(10,11)12)25(35-40(7,8)9)23(33-29)21-32-39(4,5)6/h16-20,23-27,29H,21H2,1-15H3,(H,30,31)/t23-,24-,25-,26+,27-,29+/m1/s1 |
| InChIKey | KANUWBXNPWWCJH-NPMLQSMXSA-N |
| SMILES | C1(=CC=CC=C1)[C@](C(=O)N[Si](C)(C)C)(O[C@]1([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(CO[Si](C)(C)C)[H])[H])[H])[H])[H])[H] |