| SpectraBase Compound ID | CaIsHIwXsTd |
|---|---|
| InChI | InChI=1S/C13H17NO4/c1-3-17-12(15)10(2)14-13(16)18-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,16)/t10-/m0/s1 |
| InChIKey | LPVIAWIIPLTGFK-JTQLQIEISA-N |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C13H17NO4 |
| Exact Mass | 251.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IwkVSGUJZAy |
|---|---|
| Name | L-Alanine, N-benzyloxycarbonyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.115758027 u |
| Formula | C13H17NO4 |
| InChI | InChI=1S/C13H17NO4/c1-3-17-12(15)10(2)14-13(16)18-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,16)/t10-/m0/s1 |
| InChIKey | LPVIAWIIPLTGFK-JTQLQIEISA-N |
| Molecular Weight | 251.282 g/mol |
| SMILES | CCOC([C@@](NC(OCC1=CC=CC=C1)=O)(C)[H])=O |