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3-Pentanone, 1-methoxy-4,4-dimethyl-1-phenyl- - Wikidata
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3-Pentanone, 1-methoxy-4,4-dimethyl-1-phenyl-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
220.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₀O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(CC(=O)C(C)(C)C)c1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H20O2/c1-14(2,3)13(15)10-12(16-4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3
0 references
InChIKey
CBAGNCDAXPGGHN-UHFFFAOYSA-N
0 references
CAS Registry Number
111874-44-3
0 references
PubChem CID
10878685
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
CBAGNCDAXPGGHN-UHFFFAOYSA-N
UniChem compound ID
32934691
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90446857
1 reference
matched by identifier from
InChIKey
InChIKey
CBAGNCDAXPGGHN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90397678
0 references
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