| SpectraBase Compound ID | T4OeRdq1GL |
|---|---|
| InChI | InChI=1S/C13H11Br/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2 |
| InChIKey | HZQLUIZFUXNFHK-UHFFFAOYSA-N |
| Mol Weight | 247.13 g/mol |
| Molecular Formula | C13H11Br |
| Exact Mass | 246.004413 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1wkfipmopMd |
|---|---|
| Name | Xenytropium - GC Artefact I |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H11Br |
| InChI | InChI=1S/C13H11Br/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2 |
| InChIKey | HZQLUIZFUXNFHK-UHFFFAOYSA-N |
| Molecular Weight | 247.135 g/mol |
| SMILES | c1(-c2ccccc2)ccc(cc1)CBr |
| SPLASH | splash10-014i-1910000000-2a83f69a7ef41db0a577 |
| Source of Spectrum | CJ-0-15-3534 |
| Synonyms | 1-(bromomethyl)-4-phenylbenzene |
| Wiley ID | 1248766 |