| SpectraBase Compound ID | 9EJqGsqutIG |
|---|---|
| InChI | InChI=1S/C10H10BrNO4/c11-7-1-2-10(13)16-9-5-3-8(4-6-9)12(14)15/h3-6H,1-2,7H2 |
| InChIKey | GAAZAZYRJDROIQ-UHFFFAOYSA-N |
| Mol Weight | 288.1 g/mol |
| Molecular Formula | C10H10BrNO4 |
| Exact Mass | 286.979321 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | aDiQgRbRV1 |
|---|---|
| Name | 4-Bromobutyric acid, 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.979320802 u |
| Formula | C10H10BrNO4 |
| InChI | InChI=1S/C10H10BrNO4/c11-7-1-2-10(13)16-9-5-3-8(4-6-9)12(14)15/h3-6H,1-2,7H2 |
| InChIKey | GAAZAZYRJDROIQ-UHFFFAOYSA-N |
| Molecular Weight | 288.097 g/mol |
| SMILES | C1(=CC=C(C=C1)OC(CCCBr)=O)N(=O)=O |