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(Q82693808)
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English
(2-~13~C)Ethyl (~13~C_5_)pyridine-3-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
ethyl nicotinate
1 reference
based on heuristic
inferred from InChIKey
mass
157.083457568
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₉NO₂
0 references
canonical SMILES
[13CH3]COC(=O)[13C]1=[13CH]N=[13CH][13CH]=[13CH]1
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Identifiers
InChI
InChI=1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3/i1+1,3+1,4+1,5+1,6+1,7+1
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InChIKey
XBLVHTDFJBKJLG-FJYIEFNNSA-N
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CAS Registry Number
1246819-16-8
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PubChem CID
71308878
1 reference
matched by identifier from
InChIKey
InChIKey
XBLVHTDFJBKJLG-FJYIEFNNSA-N
UniChem compound ID
59364517
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00745681
1 reference
matched by identifier from
InChIKey
InChIKey
XBLVHTDFJBKJLG-FJYIEFNNSA-N
DSSTOX compound identifier
DTXCID80696425
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