| SpectraBase Compound ID | 5ErlXOwTKNq |
|---|---|
| InChI | InChI=1S/C11H12BrNO4/c12-8-2-1-3-11(14)17-10-6-4-9(5-7-10)13(15)16/h4-7H,1-3,8H2 |
| InChIKey | GDGCLFKJKUESDK-UHFFFAOYSA-N |
| Mol Weight | 302.12 g/mol |
| Molecular Formula | C11H12BrNO4 |
| Exact Mass | 300.994971 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Lhzvmhytsx4 |
|---|---|
| Name | 5-Bromovaleric acid, 4-nitrophenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.994970866 u |
| Formula | C11H12BrNO4 |
| InChI | InChI=1S/C11H12BrNO4/c12-8-2-1-3-11(14)17-10-6-4-9(5-7-10)13(15)16/h4-7H,1-3,8H2 |
| InChIKey | GDGCLFKJKUESDK-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)OC(CCCCBr)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.803414 |