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(Q82009712)
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English
(2-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=CC=C1C(C)C
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Identifiers
InChI
InChI=1S/C13H18O2/c1-4-7-13(14)15-12-9-6-5-8-11(12)10(2)3/h5-6,8-10H,4,7H2,1-3H3
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InChIKey
OMPCIYGYHIDGMB-UHFFFAOYSA-N
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CAS Registry Number
7476-89-3
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PubChem CID
221454
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UniChem compound ID
11292223
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20278103
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DSSTOX compound identifier
DTXCID70229261
0 references
NSC number
6041
0 references
404409
0 references
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