| SpectraBase Compound ID | DSGBTndo9nD |
|---|---|
| InChI | InChI=1S/C12H14BrClO/c13-8-1-2-10-3-5-11(6-4-10)12(15)7-9-14/h3-6H,1-2,7-9H2 |
| InChIKey | GPJKORBOWABKKA-UHFFFAOYSA-N |
| Mol Weight | 289.6 g/mol |
| Molecular Formula | C12H14BrClO |
| Exact Mass | 287.991656 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HDgpainnYaK |
|---|---|
| Name | 1-(3-Chloro-1-oxopropyl)-4-(3-bromopropyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.991655770 u |
| Formula | C12H14BrClO |
| InChI | InChI=1S/C12H14BrClO/c13-8-1-2-10-3-5-11(6-4-10)12(15)7-9-14/h3-6H,1-2,7-9H2 |
| InChIKey | GPJKORBOWABKKA-UHFFFAOYSA-N |
| SMILES | C(C=1C=CC(=CC1)CCCBr)(=O)CCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872718 |