| SpectraBase Compound ID | 9o9NNJZRbuM |
|---|---|
| InChI | InChI=1S/C12H12BrNO2/c1-2-8(13)7-14-11(15)9-5-3-4-6-10(9)12(14)16/h3-6,8H,2,7H2,1H3 |
| InChIKey | PVEZTARZGXSFBA-UHFFFAOYSA-N |
| Mol Weight | 282.14 g/mol |
| Molecular Formula | C12H12BrNO2 |
| Exact Mass | 281.005142 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JXthojSJoM4 |
|---|---|
| Name | 2-Bromobutylphthalimide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.005141628 u |
| Formula | C12H12BrNO2 |
| InChI | InChI=1S/C12H12BrNO2/c1-2-8(13)7-14-11(15)9-5-3-4-6-10(9)12(14)16/h3-6,8H,2,7H2,1H3 |
| InChIKey | PVEZTARZGXSFBA-UHFFFAOYSA-N |
| SMILES | C12=C(C=CC=C2)C(=O)N(C1=O)CC(CC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944084 |