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(Q82015393)
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English
sec-butyl phenylacetate
pair of enantiomers
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
192.2547
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₆O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(C)OC(=O)CC1=CC=CC=C1
0 references
Identifiers
InChI
InChI=1S/C12H16O2/c1-3-10(2)14-12(13)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
0 references
InChIKey
ZTPYZNJPAOHMRG-UHFFFAOYSA-N
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CAS Registry Number
5436-58-8
0 references
ChemSpider ID
199015
0 references
PubChem CID
228649
0 references
UniChem compound ID
25057091
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20281450
0 references
DSSTOX compound identifier
DTXCID20232604
0 references
NSC number
21744
0 references
Nikkaji ID
J559.547I
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