| SpectraBase Spectrum ID |
8HskPrJS5Wy |
| Name |
1,3-Bis(4-chlorophenyl)but-2-en-1-one |
| CAS Registry Number |
16197-82-3 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
290.026520405 u |
| Formula |
C16H12Cl2O |
| InChI |
InChI=1S/C16H12Cl2O/c1-11(12-2-6-14(17)7-3-12)10-16(19)13-4-8-15(18)9-5-13/h2-10H,1H3/b11-10+ |
| InChIKey |
JCLHZOCYZUYOCS-ZHACJKMWSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
291.177 g/mol |
| Nominal Mass |
290 u |
| Quality |
979 |
| Retention Index |
2052 |
| SMILES |
C(C1=CC=C(C=C1)Cl)(\C=C\(C=1C=CC(=CC1)Cl)C)=O |
| SPLASH |
splash10-0ap3-2690000000-bfd15b142a0b756998de |
| Sample Comments |
cis/trans isomerism uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,3-Bis(4-chlorophenyl)-2-buten-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024402 |
