![Acetic acid, cyano[[(1,1-dimethylethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (.+-.)-](/api/spectrum/51fVc47Dwxq/structure.png?h=300&w=458 "Acetic acid, cyano[[(1,1-dimethylethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (.+-.)-")
| SpectraBase Compound ID | 84eMgCYCPyh |
|---|---|
| InChI | InChI=1S/C12H20N2O4/c1-11(2,3)17-9(15)8(7-13)14-10(16)18-12(4,5)6/h8H,1-6H3,(H,14,16) |
| InChIKey | QGFWEMSKFGZLRY-UHFFFAOYSA-N |
| Mol Weight | 256.3 g/mol |
| Molecular Formula | C12H20N2O4 |
| Exact Mass | 256.142307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51fVc47Dwxq |
|---|---|
| Name | Acetic acid, cyano[[(1,1-dimethylethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (.+-.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.142307128 u |
| Formula | C12H20N2O4 |
| InChI | InChI=1S/C12H20N2O4/c1-11(2,3)17-9(15)8(7-13)14-10(16)18-12(4,5)6/h8H,1-6H3,(H,14,16) |
| InChIKey | QGFWEMSKFGZLRY-UHFFFAOYSA-N |
| Molecular Weight | 256.302 g/mol |
| SMILES | C(C(OC(C)(C)C)=O)(NC(OC(C)(C)C)=O)C#N |