| SpectraBase Compound ID | LXdV9RuuFvK |
|---|---|
| InChI | InChI=1S/C12H14BrNO4/c13-9-3-1-2-4-12(15)18-11-7-5-10(6-8-11)14(16)17/h5-8H,1-4,9H2 |
| InChIKey | IGFDRPHVXMUTLG-UHFFFAOYSA-N |
| Mol Weight | 316.15 g/mol |
| Molecular Formula | C12H14BrNO4 |
| Exact Mass | 315.010621 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kj59RE99xJr |
|---|---|
| Name | 6-Bromohexanoic acid, 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.010620931 u |
| Formula | C12H14BrNO4 |
| InChI | InChI=1S/C12H14BrNO4/c13-9-3-1-2-4-12(15)18-11-7-5-10(6-8-11)14(16)17/h5-8H,1-4,9H2 |
| InChIKey | IGFDRPHVXMUTLG-UHFFFAOYSA-N |
| Molecular Weight | 316.151 g/mol |
| SMILES | C1(=CC=C(C=C1)OC(CCCCCBr)=O)N(=O)=O |