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2-Chloroethanol
SpectraBase Compound ID Eot79yVwJVY
InChI InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2
InChIKey SZIFAVKTNFCBPC-UHFFFAOYSA-N
Mol Weight 80.51 g/mol
Molecular Formula C2H5ClO
Exact Mass 80.002892 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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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