For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Ethanol
SpectraBase Compound ID Kn46yonbI3b
InChI InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChIKey LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Mol Weight 46.07 g/mol
Molecular Formula C2H6O
Exact Mass 46.041865 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BVhbUubFdqu
Name Ethanol
Acquisition Mode SIMULTANEOUS
CAS Registry Number 64-17-5
ChEBI ID 16236
Comments 100 mM Ethanol; 100 % D2O 50 mM sodium phosphate 500 uM sodium azide 500 uM 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 - Qiu Cui, Ian Lewis, Brendan Hodis, Mark E. Anderson, John L. Markley.
Formula C2H6O
IUPAC Name ethanol
InChI InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChIKey LFQSCWFLJHTTHZ-UHFFFAOYSA-N
KEGG Compound ID C00469
KEGG Pathways PATH: map00010 Glycolysis / Gluconeogenesis
PubChem Compound ID 702
SMILES CCO
Source File Reference bmse000297