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(Q82579194)
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English
Ethyl (2Z)-2-[(4-fluorophenyl)methylidene]-4-(~2~H_3_)methyl-3-oxo(5,5,5-~2~H_3_)pentanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
270.15383310000004
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₁₇FO₃
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canonical SMILES
[2H]C([2H])([2H])C(C(=O)/C(=C/c1ccc(F)cc1)C(=O)OCC)C([2H])([2H])[2H]
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
[2H]C([2H])([2H])C(C(=O)/C(=C/C1=CC=C(C=C1)F)/C(=O)OCC)C([2H])([2H])[2H]
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Identifiers
InChI
InChI=1S/C15H17FO3/c1-4-19-15(18)13(14(17)10(2)3)9-11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3/b13-9-/i2D3,3D3
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InChIKey
LOQOYHQUQSXJCE-CENYBBJTSA-N
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CAS Registry Number
1185241-64-8
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PubChem CID
45039207
1 reference
matched by identifier from
InChIKey
InChIKey
LOQOYHQUQSXJCE-CENYBBJTSA-N
UniChem compound ID
23762949
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90661962
1 reference
matched by identifier from
InChIKey
InChIKey
LOQOYHQUQSXJCE-CENYBBJTSA-N
DSSTOX compound identifier
DTXCID30612711
0 references
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