| SpectraBase Spectrum ID |
FNXBhARimlj |
| Name |
Acetic acid 1-chloro-ethyl ester |
| Alternate Name(s) |
1-Chloroethyl acetate
1-Chloroethanol acetate
1-chloroethyl ethanoate
acetic acid 1-chloroethyl ester
Ethanol, 1-chloro-, acetate |
| CAS Registry Number |
5912-58-3 |
| Comments |
Removed - expert review: contamination (acetone)); Note: The molecular formula of the structure shown is C4H7ClO2 - which differs from the formula reported for the mass spectrum (C4H5ClO2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C4H5ClO2 |
| InChI |
InChI=1S/C4H7ClO2/c1-3(5)7-4(2)6/h3H,1-2H3 |
| InChIKey |
CGKKDGMMKSOGLM-UHFFFAOYSA-N |
| Molecular Weight |
122.551 g/mol |
| SMILES |
CC(=O)OC(Cl)C |
| SPLASH |
splash10-0006-9000000000-db6628e42667e6e54c0d |
| Source of Spectrum |
SB-37-42-4 |
| Wiley ID |
1126981 |
