| SpectraBase Spectrum ID |
ScYZzPN4FI |
| Name |
3,4-Dichlorophenylacetic acid methylester |
| CAS Registry Number |
6725-44-6 |
| Classification |
Pharmaceutical drug intermediate |
| 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 |
217.990134896 u |
| Formula |
C9H8Cl2O2 |
| InChI |
InChI=1S/C9H8Cl2O2/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3 |
| InChIKey |
FWVOAIHAIWHHDM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
219.067 g/mol |
| Nominal Mass |
218 u |
| Quality |
922 |
| Retention Index |
1549 |
| SMILES |
C1(=CC(=C(C=C1)Cl)Cl)CC(OC)=O |
| SPLASH |
splash10-0bt9-3910000000-3f9ac68e74ea0a0a2a65 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl-(3,4-dichlorophenyl)acetate
Methyl (3,4-dichlorophenyl)acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019140 |
