| SpectraBase Spectrum ID |
BSTX8CPtu0R |
| Name |
2-Chloroethanol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
59826-67-4; 107-07-3 |
| ChEBI ID |
28200 |
| Comments |
100 mM 2-chloroethanol - Sigma-Aldrich; Solvent D2O; Buffer sodium phosphate; Cytocide sodium azide; Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C2 H5 Cl O |
| IUPAC Name |
2-chloroethanol |
| InChI |
InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2 |
| InChIKey |
SZIFAVKTNFCBPC-UHFFFAOYSA-N |
| KEGG Compound ID |
C06753 |
| KEGG Pathways |
PATH: ko00631 1,2-Dichloroethane degradation |
| PubChem Compound ID |
34 |
| SMILES |
C(CCl)O |
| Source File Reference |
bmse000360 |
