| SpectraBase Spectrum ID |
8JiivLTz8ca |
| Name |
4-Ethylbenzoyl chloride |
| CAS Registry Number |
16331-45-6 |
| 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/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3 |
| InChIKey |
AVTLLLZVYYPGFX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
168.623 g/mol |
| Nominal Mass |
168 u |
| Quality |
989 |
| Retention Index |
1292 |
| SMILES |
C=1(C(Cl)=O)C=CC(=CC1)CC |
| SPLASH |
splash10-001i-5900000000-5a4ac58a9f1a993be244 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-ethylbenzoyl chloride |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005812 |
