| SpectraBase Compound ID | DUYBu9KTUks |
|---|---|
| InChI | InChI=1S/C13H24BrNO2SSi2/c1-19(2,3)15-11(13(16)17-20(4,5)6)9-10-7-8-12(14)18-10/h7-8,11,15H,9H2,1-6H3/t11-/m0/s1 |
| InChIKey | JPHNHLMEGOJILT-NSHDSACASA-N |
| Mol Weight | 394.47 g/mol |
| Molecular Formula | C13H24BrNO2SSi2 |
| Exact Mass | 393.024966 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DvR8WL6pipc |
|---|---|
| Name | L-2-(5-Bromothienyl)alanine, 2tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 393.024966259 u |
| Formula | C13H24BrNO2SSi2 |
| InChI | InChI=1S/C13H24BrNO2SSi2/c1-19(2,3)15-11(13(16)17-20(4,5)6)9-10-7-8-12(14)18-10/h7-8,11,15H,9H2,1-6H3/t11-/m0/s1 |
| InChIKey | JPHNHLMEGOJILT-NSHDSACASA-N |
| Molecular Weight | 394.474 g/mol |
| SMILES | C([C@@](C(O[Si](C)(C)C)=O)(N[Si](C)(C)C)[H])C1=CC=C(S1)Br |