![Carbamic acid, [2-[(cyanomethyl)amino]-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester, (S)-](/api/spectrum/93DyzQA74Bk/structure.png?h=300&w=458 "Carbamic acid, [2-[(cyanomethyl)amino]-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester, (S)-")
| SpectraBase Compound ID | 3VGjqnr0YED |
|---|---|
| InChI | InChI=1S/C16H21N3O3/c1-16(2,3)22-15(21)19-13(14(20)18-10-9-17)11-12-7-5-4-6-8-12/h4-8,13H,10-11H2,1-3H3,(H,18,20)(H,19,21) |
| InChIKey | OYGWLRRBJCSNDB-UHFFFAOYSA-N |
| Mol Weight | 303.36 g/mol |
| Molecular Formula | C16H21N3O3 |
| Exact Mass | 303.158292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 93DyzQA74Bk |
|---|---|
| Name | nan |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.158291545 u |
| Formula | C16H21N3O3 |
| InChI | InChI=1S/C16H21N3O3/c1-16(2,3)22-15(21)19-13(14(20)18-10-9-17)11-12-7-5-4-6-8-12/h4-8,13H,10-11H2,1-3H3,(H,18,20)(H,19,21) |
| InChIKey | OYGWLRRBJCSNDB-UHFFFAOYSA-N |
| Molecular Weight | 303.362 g/mol |
| SMILES | N(C(OC(C)(C)C)=O)C(C(=O)NCC#N)Cc1ccccc1 |