| SpectraBase Compound ID | 1xO156mkqAq |
|---|---|
| InChI | InChI=1S/C12H23NO4Se/c1-8(2)16-11(14)10(6-7-18-5)13-12(15)17-9(3)4/h8-10H,6-7H2,1-5H3,(H,13,15)/t10-/m0/s1 |
| InChIKey | ICDOIBQTCZBHSW-JTQLQIEISA-N |
| Mol Weight | 324.29 g/mol |
| Molecular Formula | C12H23NO4Se |
| Exact Mass | 325.07923 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8eyaTiaxLBm |
|---|---|
| Name | Seleno-L-methionine, N-(isopropyloxycarbonyl)-, isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.079230221 u |
| Formula | C12H23NO4Se |
| InChI | InChI=1S/C12H23NO4Se/c1-8(2)16-11(14)10(6-7-18-5)13-12(15)17-9(3)4/h8-10H,6-7H2,1-5H3,(H,13,15)/t10-/m0/s1 |
| InChIKey | ICDOIBQTCZBHSW-JTQLQIEISA-N |
| Molecular Weight | 324.291 g/mol |
| SMILES | C([Se]C)C[C@@](C(OC(C)C)=O)(NC(=O)OC(C)C)[H] |