| SpectraBase Spectrum ID |
JHVa6axDasK |
| Name |
4-Bromobenzoyl chloride |
| CAS Registry Number |
586-75-4 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
217.913405448 u |
| Formula |
C7H4BrClO |
| InChI |
InChI=1S/C7H4BrClO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H |
| InChIKey |
DENKGPBHLYFNGK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
219.465 g/mol |
| Nominal Mass |
218 u |
| Quality |
992 |
| Retention Index |
1359 |
| SMILES |
C1(C(Cl)=O)=CC=C(C=C1)Br |
| SPLASH |
splash10-0540-4900000000-3fad50e66206a19fc525 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoyl chloride,4-bromo- |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025440 |
