| SpectraBase Compound ID | 2AFexAF9Kz9 |
|---|---|
| InChI | InChI=1S/C22H35N3O4Si/c1-14(2)19(29-30(5,6)7)21(27)23-15(3)20(26)24-18-17-11-9-8-10-16(17)12-13-25(4)22(18)28/h8-11,14-15,18-19H,12-13H2,1-7H3,(H,23,27)(H,24,26)/t15-,18-,19-/m0/s1 |
| InChIKey | VZFVXDBJMVZDNF-SNRMKQJTSA-N |
| Mol Weight | 433.6 g/mol |
| Molecular Formula | C22H35N3O4Si |
| Exact Mass | 433.239683 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 | JfqLqTvkUD5 |
|---|---|
| Name | Semagacestat, tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 433.239683150 u |
| Formula | C22H35N3O4Si |
| InChI | InChI=1S/C22H35N3O4Si/c1-14(2)19(29-30(5,6)7)21(27)23-15(3)20(26)24-18-17-11-9-8-10-16(17)12-13-25(4)22(18)28/h8-11,14-15,18-19H,12-13H2,1-7H3,(H,23,27)(H,24,26)/t15-,18-,19-/m0/s1 |
| InChIKey | VZFVXDBJMVZDNF-SNRMKQJTSA-N |
| Molecular Weight | 433.624 g/mol |
| SMILES | C([C@](C(C)C)(O[Si](C)(C)C)[H])(=O)N[C@](C(N[C@@]1(C(N(CCC2=C1C=CC=C2)C)=O)[H])=O)(C)[H] |