| SpectraBase Compound ID | FQbskVtT2qv |
|---|---|
| InChI | InChI=1S/C16H20N2O4/c1-16(2,3)22-15(20)18-13(14(19)21-4)9-11-5-7-12(10-17)8-6-11/h5-8,13H,9H2,1-4H3,(H,18,20)/t13-/m1/s1 |
| InChIKey | AUVCCKINWBIXOP-CYBMUJFWSA-N |
| Mol Weight | 304.35 g/mol |
| Molecular Formula | C16H20N2O4 |
| Exact Mass | 304.142307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GPAituHoJ9r |
|---|---|
| Name | boc-4-Cyano-D-phenylalanine, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.142307128 u |
| Formula | C16H20N2O4 |
| InChI | InChI=1S/C16H20N2O4/c1-16(2,3)22-15(20)18-13(14(19)21-4)9-11-5-7-12(10-17)8-6-11/h5-8,13H,9H2,1-4H3,(H,18,20)/t13-/m1/s1 |
| InChIKey | AUVCCKINWBIXOP-CYBMUJFWSA-N |
| Molecular Weight | 304.346 g/mol |
| SMILES | [C@](NC(=O)OC(C)(C)C)(CC1=CC=C(C=C1)C#N)(C(=O)OC)[H] |