| SpectraBase Spectrum ID |
DmspmtXp8Jk |
| Name |
1-(4-Chlorophenyl)-1-butanone |
| CAS Registry Number |
4981-63-9 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
182.049842673 u |
| Formula |
C10H11ClO |
| InChI |
InChI=1S/C10H11ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3 |
| InChIKey |
XLCJPQYALLFIPW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
182.650 g/mol |
| Nominal Mass |
182 u |
| Quality |
979 |
| Retention Index |
1272 |
| SMILES |
C1(C(CCC)=O)=CC=C(C=C1)Cl |
| SPLASH |
splash10-000i-3900000000-b62f3d0ed9a5f65d737b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(4-chlorophenyl)butan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007024 |
