![N-[2-(4-nitrophenyl)ethyl]carbamic acid tert-butyl ester](/api/spectrum/7ygD3w8zHvq/structure.png?h=300&w=458 "N-[2-(4-nitrophenyl)ethyl]carbamic acid tert-butyl ester")
| SpectraBase Compound ID | 1WfwFVkR1Wl |
|---|---|
| InChI | InChI=1S/C13H18N2O4/c1-13(2,3)19-12(16)14-9-8-10-4-6-11(7-5-10)15(17)18/h4-7H,8-9H2,1-3H3,(H,14,16) |
| InChIKey | GDPYNCZCYJBYIN-UHFFFAOYSA-N |
| Mol Weight | 266.3 g/mol |
| Molecular Formula | C13H18N2O4 |
| Exact Mass | 266.126657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ygD3w8zHvq |
|---|---|
| Name | N-[2-(4-Nitrophenyl)ethyl]carbamic acid tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.126657064 u |
| Formula | C13H18N2O4 |
| InChI | InChI=1S/C13H18N2O4/c1-13(2,3)19-12(16)14-9-8-10-4-6-11(7-5-10)15(17)18/h4-7H,8-9H2,1-3H3,(H,14,16) |
| InChIKey | GDPYNCZCYJBYIN-UHFFFAOYSA-N |
| Molecular Weight | 266.297 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(C=C1)CCNC(OC(C)(C)C)=O |