| SpectraBase Compound ID | 3wEckbR3gvM |
|---|---|
| InChI | InChI=1S/C7H11NO4/c1-3-12-7(11)8-6(10)4-5(2)9/h3-4H2,1-2H3,(H,8,10,11) |
| InChIKey | KTKYFDJHFHNAOV-UHFFFAOYSA-N |
| Mol Weight | 173.17 g/mol |
| Molecular Formula | C7H11NO4 |
| Exact Mass | 173.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 49yAqE2RVPc |
|---|---|
| Name | Ethyl acetoacetylcarbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.068807834 u |
| Formula | C7H11NO4 |
| InChI | InChI=1S/C7H11NO4/c1-3-12-7(11)8-6(10)4-5(2)9/h3-4H2,1-2H3,(H,8,10,11) |
| InChIKey | KTKYFDJHFHNAOV-UHFFFAOYSA-N |
| Molecular Weight | 173.168 g/mol |
| SMILES | CC(CC(NC(OCC)=O)=O)=O |