CHEBI:193043 - ethanol-d6

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ChEBI Name ethanol-d6
ChEBI ID CHEBI:193043
Stars This entity has been manually annotated by a third party.
Submitter Johannes Hunold (ORCID: 0000-0002-4378-6061)
Supplier Information
Download Molfile XML SDF
Formula C2D6O
Net Charge 0
Average Mass 52.106
Monoisotopic Mass 52.07953
InChI InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D
InChIKey LFQSCWFLJHTTHZ-LIDOUZCJSA-N
SMILES O(C(C([H])([H])[H])([H])[H])[H]
Roles Classification
Chemical Role(s): NMR solvent
A solvent used in nuclear magnetic resonance (NMR) spectroscopy.
Application(s): NMR solvent
A solvent used in nuclear magnetic resonance (NMR) spectroscopy.
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ChEBI Ontology
Outgoing ethanol-d6 (CHEBI:193043) has role NMR solvent (CHEBI:197449)
ethanol-d6 (CHEBI:193043) is a alkyl alcohol (CHEBI:50584)
ethanol-d6 (CHEBI:193043) is a deuterated compound (CHEBI:76107)
ethanol-d6 (CHEBI:193043) is a ethanols (CHEBI:23982)
ethanol-d6 (CHEBI:193043) is a volatile organic compound (CHEBI:134179)
IUPAC Name
1,1,1,2,2-pentadeuterio-2-deuteriooxyethane
Synonyms Sources
deuterated ethanol SUBMITTER
ethyl-d5 alcohol-d SUBMITTER
hexadeuteroethanol SUBMITTER
Manual Xref Database
https://en.wikipedia.org/wiki/Deuterated_ethanol Wikipedia accession
View more database links
Registry Number Type Source
1516-08-1 CAS Registry Number SUBMITTER
Last Modified
18 October 2023