| SpectraBase Compound ID | Jq42lsLL7Tx |
|---|---|
| InChI | InChI=1S/C10H20N2O4/c1-5(2)4-7(10(15)16)12-9(14)8(11)6(3)13/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)/t6-,7+,8+/m1/s1 |
| InChIKey | BQBCIBCLXBKYHW-CSMHCCOUSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C10H20N2O4 |
| Exact Mass | 232.142307 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FKsv0YL1qdi |
|---|---|
| Name | L-Threonyl-L-leucine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.142307128 u |
| Formula | C10H20N2O4 |
| InChI | InChI=1S/C10H20N2O4/c1-5(2)4-7(10(15)16)12-9(14)8(11)6(3)13/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)/t6-,7+,8+/m1/s1 |
| InChIKey | BQBCIBCLXBKYHW-CSMHCCOUSA-N |
| SMILES | N(C([C@]([C@@](C)(O)[H])(N)[H])=O)[C@](C(O)=O)(CC(C)C)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.97008 |