| SpectraBase Compound ID | JWc8Rki3FcS |
|---|---|
| InChI | InChI=1S/C12H15NO4/c1-3-9(4-2)12(14)17-11-7-5-10(6-8-11)13(15)16/h5-9H,3-4H2,1-2H3 |
| InChIKey | HQAVMBYVTBETPS-UHFFFAOYSA-N |
| Mol Weight | 237.25 g/mol |
| Molecular Formula | C12H15NO4 |
| Exact Mass | 237.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JLhy3YjI5mx |
|---|---|
| Name | 2-Ethylbutyric acid, 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.100107963 u |
| Formula | C12H15NO4 |
| InChI | InChI=1S/C12H15NO4/c1-3-9(4-2)12(14)17-11-7-5-10(6-8-11)13(15)16/h5-9H,3-4H2,1-2H3 |
| InChIKey | HQAVMBYVTBETPS-UHFFFAOYSA-N |
| Molecular Weight | 237.255 g/mol |
| SMILES | C1(=CC=C(C=C1)OC(=O)C(CC)CC)N(=O)=O |