| SpectraBase Spectrum ID |
2oPz1IQCae0 |
| Name |
Xenytropium-A |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
246.004413354 u |
| 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
247.135 g/mol |
| Nominal Mass |
246 u |
| Quality |
832 |
| Retention Index |
1673 |
| SMILES |
C=1(C=2C=CC=CC2)C=CC(=CC1)CBr |
| SPLASH |
splash10-014i-2900000000-6b1c4b53a2a493a16879 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(bromomethyl)-1,1'-biphenyl |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006290 |
