![N-[2-(cyanomethylamino)-2-keto-ethyl]carbamic acid tert-butyl ester](/api/spectrum/6xh0StzoImP/structure.png?h=300&w=458 "N-[2-(cyanomethylamino)-2-keto-ethyl]carbamic acid tert-butyl ester")
| SpectraBase Compound ID | 278UHRkG6cH |
|---|---|
| InChI | InChI=1S/C9H15N3O3/c1-9(2,3)15-8(14)12-6-7(13)11-5-4-10/h5-6H2,1-3H3,(H,11,13)(H,12,14) |
| InChIKey | XPPHLZBEBMODOV-UHFFFAOYSA-N |
| Mol Weight | 213.24 g/mol |
| Molecular Formula | C9H15N3O3 |
| Exact Mass | 213.111341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6xh0StzoImP |
|---|---|
| Name | N-[2-(Cyanomethylamino)-2-keto-ethyl]carbamic acid tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.111341352 u |
| Formula | C9H15N3O3 |
| InChI | InChI=1S/C9H15N3O3/c1-9(2,3)15-8(14)12-6-7(13)11-5-4-10/h5-6H2,1-3H3,(H,11,13)(H,12,14) |
| InChIKey | XPPHLZBEBMODOV-UHFFFAOYSA-N |
| Molecular Weight | 213.237 g/mol |
| SMILES | C(NCC(=O)NCC#N)(OC(C)(C)C)=O |