| SpectraBase Compound ID | 1P9Nw8wtvI7 |
|---|---|
| InChI | InChI=1S/C14H8BrNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H |
| InChIKey | DNQCPYWSXMATIN-UHFFFAOYSA-N |
| Mol Weight | 302.13 g/mol |
| Molecular Formula | C14H8BrNO2 |
| Exact Mass | 300.973841 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4Ht6u0pn4ib |
|---|---|
| Name | 2-(4-Bromophenyl)isoindole-1,3-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.973841500 u |
| Formula | C14H8BrNO2 |
| InChI | InChI=1S/C14H8BrNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H |
| InChIKey | DNQCPYWSXMATIN-UHFFFAOYSA-N |
| SMILES | C1=CC=2C(N(C(C2C=C1)=O)C=1C=CC(=CC1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875866 |