| SpectraBase Compound ID | JXKtDb7Tlwv |
|---|---|
| InChI | InChI=1S/C10H12BrI/c1-8(12)7-10(11)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3 |
| InChIKey | LPYJYZUGKADQDP-UHFFFAOYSA-N |
| Mol Weight | 339.01 g/mol |
| Molecular Formula | C10H12BrI |
| Exact Mass | 337.916708 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8Towvg1wWKU |
|---|---|
| Name | Benzene, (1-bromo-3-iodobutyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.916708386 u |
| Formula | C10H12BrI |
| InChI | InChI=1S/C10H12BrI/c1-8(12)7-10(11)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3 |
| InChIKey | LPYJYZUGKADQDP-UHFFFAOYSA-N |
| Molecular Weight | 339.014 g/mol |
| SMILES | C1=CC=CC(=C1)C(CC(C)I)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955488 |