| SpectraBase Compound ID | G4WJekPB0PS |
|---|---|
| InChI | InChI=1S/C11H12BrNO2/c1-15-10-3-2-7(4-9(10)12)8-5-11(14)13-6-8/h2-4,8H,5-6H2,1H3,(H,13,14) |
| InChIKey | FEQWZOAWXAIJPI-UHFFFAOYSA-N |
| Mol Weight | 270.13 g/mol |
| Molecular Formula | C11H12BrNO2 |
| Exact Mass | 269.005142 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 82KKsmEsbRP |
|---|---|
| Name | 4-(3-Bromo-4-methoxyphenyl)pyrrolidin-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.005141628 u |
| Formula | C11H12BrNO2 |
| InChI | InChI=1S/C11H12BrNO2/c1-15-10-3-2-7(4-9(10)12)8-5-11(14)13-6-8/h2-4,8H,5-6H2,1H3,(H,13,14) |
| InChIKey | FEQWZOAWXAIJPI-UHFFFAOYSA-N |
| SMILES | C1(NCC(C1)C1=CC(Br)=C(C=C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962758 |