| SpectraBase Spectrum ID |
2owQKQrEtQu |
| Name |
4-Chlorpropiophenone |
| CAS Registry Number |
6285-05-8 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
168.034192609 u |
| Formula |
C9H9ClO |
| InChI |
InChI=1S/C9H9ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3 |
| InChIKey |
ADCYRBXQAJXJTD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
168.623 g/mol |
| Nominal Mass |
168 u |
| Quality |
966 |
| Retention Index |
1172 |
| SMILES |
C=1(C(CC)=O)C=CC(=CC1)Cl |
| SPLASH |
splash10-000i-2900000000-3368e477d8b9c86139de |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-Propanone,1-(4-chlorophenyl)-
p-chlorpropiophenone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032460 |
