SpectraBase Compound ID | KD7DrWjSsSj |
---|---|
InChI | InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m0/s1 |
InChIKey | NPDBDJFLKKQMCM-BYPYZUCNSA-N |
Mol Weight | 131.17 g/mol |
Molecular Formula | C6H13NO2 |
Exact Mass | 131.094629 g/mol |
SpectraBase Spectrum ID | J6Pwzi0aIQT |
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Name | D-Tert-leucine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 131.094628661 u |
Formula | C6H13NO2 |
InChI | InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m0/s1 |
InChIKey | NPDBDJFLKKQMCM-BYPYZUCNSA-N |
Molecular Weight | 131.175 g/mol |
SMILES | C([C@@](C(C)(C)C)(N)[H])(=O)O |
Spectrum/Structure Validation Score (Raman) | 0.987246 |