| SpectraBase Compound ID | 3QMwQsY9hyx |
|---|---|
| InChI | InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-4-6-11(9-16)7-5-10/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1 |
| InChIKey | RMBLTLXJGNILPG-GFCCVEGCSA-N |
| Mol Weight | 290.32 g/mol |
| Molecular Formula | C15H18N2O4 |
| Exact Mass | 290.126657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DMvMOEFFJVn |
|---|---|
| Name | boc-4-Cyano-D-phenylalanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.126657064 u |
| Formula | C15H18N2O4 |
| InChI | InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-4-6-11(9-16)7-5-10/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1 |
| InChIKey | RMBLTLXJGNILPG-GFCCVEGCSA-N |
| SMILES | [C@](NC(=O)OC(C)(C)C)(CC1=CC=C(C=C1)C#N)(C(=O)O)[H] |