| SpectraBase Compound ID | 1JIRIFIOfEx |
|---|---|
| InChI | InChI=1S/C10H10BrCl/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3/b10-9- |
| InChIKey | SSYRRJXZIGTHSY-KTKRTIGZSA-N |
| Mol Weight | 245.55 g/mol |
| Molecular Formula | C10H10BrCl |
| Exact Mass | 243.965441 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BUIiuLGVreJ |
|---|---|
| Name | (E)-1-Bromo-1-chloro-2-phenyl-1-butene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.965441022 u |
| Formula | C10H10BrCl |
| InChI | InChI=1S/C10H10BrCl/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3/b10-9- |
| InChIKey | SSYRRJXZIGTHSY-KTKRTIGZSA-N |
| Molecular Weight | 245.547 g/mol |
| SMILES | C=1(\C(=C/(Cl)Br)CC)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930052 |