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(Q82120385)
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Phenylethynyl p-methoxyphenyl ketone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
236.083729624
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₂O₂
0 references
canonical SMILES
COC1=CC=C(C=C1)C(=O)C#CC2=CC=CC=C2
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Identifiers
InChI
InChI=1S/C16H12O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-6,8-11H,1H3
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InChIKey
DDJSNTJBCFBIQV-UHFFFAOYSA-N
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CAS Registry Number
16616-43-6
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PubChem CID
616715
1 reference
matched by identifier from
InChIKey
InChIKey
DDJSNTJBCFBIQV-UHFFFAOYSA-N
UniChem compound ID
3444595
1 reference
stated in
UniChem
NMRShiftDB structure ID
20025662
1 reference
matched by identifier from
InChIKey
InChIKey
DDJSNTJBCFBIQV-UHFFFAOYSA-N
DSSTox substance ID
DTXSID40346959
1 reference
matched by identifier from
InChIKey
InChIKey
DDJSNTJBCFBIQV-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50298031
0 references
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