| SpectraBase Spectrum ID |
5ZFBHRZX4E4 |
| Name |
2-Chloroethyl benzoate |
| CAS Registry Number |
939-55-9 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
184.029107228 u |
| Formula |
C9H9ClO2 |
| InChI |
InChI=1S/C9H9ClO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey |
ANPPGQUFDXLAGY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
184.622 g/mol |
| Nominal Mass |
184 u |
| Quality |
993 |
| Retention Index |
1239 |
| SMILES |
C=1(C(OCCCl)=O)C=CC=CC1 |
| SPLASH |
splash10-0pk9-8900000000-803e9efaf4db90f06e1d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-chloroethyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006744 |
