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(Q82009932)
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English
(4-propan-2-ylphenyl) butanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
206.2813
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₈O₂
0 references
canonical SMILES
CCCC(=O)OC1=CC=C(C=C1)C(C)C
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Identifiers
InChI
InChI=1S/C13H18O2/c1-4-5-13(14)15-12-8-6-11(7-9-12)10(2)3/h6-10H,4-5H2,1-3H3
0 references
InChIKey
CWZGOVYUUVPPKQ-UHFFFAOYSA-N
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CAS Registry Number
2502-18-3
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PubChem CID
221741
0 references
UniChem compound ID
66264413
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20278244
0 references
DSSTOX compound identifier
DTXCID10229402
0 references
NSC number
6714
0 references
53058
0 references
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