| SpectraBase Compound ID | 7ByfqZ6Y84k |
|---|---|
| InChI | InChI=1S/C11H13Br/c1-2-3-4-7-10-8-5-6-9-11(10)12/h4-9H,2-3H2,1H3/b7-4+ |
| InChIKey | NFWUEFJYGHTINH-QPJJXVBHSA-N |
| Mol Weight | 225.13 g/mol |
| Molecular Formula | C11H13Br |
| Exact Mass | 224.020063 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7DaKgziKXNE |
|---|---|
| Name | (E)-1-(2-Bromophenyl)-1-pentene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.020063419 u |
| Formula | C11H13Br |
| InChI | InChI=1S/C11H13Br/c1-2-3-4-7-10-8-5-6-9-11(10)12/h4-9H,2-3H2,1H3/b7-4+ |
| InChIKey | NFWUEFJYGHTINH-QPJJXVBHSA-N |
| Molecular Weight | 225.129 g/mol |
| SMILES | C(\C=C\C=1C(=CC=CC1)Br)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.864735 |