| SpectraBase Spectrum ID |
8Iqv6qovmIC |
| Name |
4-Butyl-benzoyl chloride |
| CAS Registry Number |
28788-62-7 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
196.065492738 u |
| Formula |
C11H13ClO |
| InChI |
InChI=1S/C11H13ClO/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3 |
| InChIKey |
OUOWCSJYDCPVDM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
196.677 g/mol |
| Nominal Mass |
196 u |
| Quality |
999 |
| Retention Index |
1479 |
| SMILES |
C1(=CC=C(C=C1)CCCC)C(Cl)=O |
| SPLASH |
splash10-03di-5900000000-1d80c8f23333a66d9132 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-butylbenzoyl chloride |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022413 |
