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(Q82557676)
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English
Ethyl 6-(3-bromophenyl)-6-oxohexanoate
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
313.187
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₇BrO₃
0 references
canonical SMILES
CCOC(=O)CCCCC(=O)C1=CC(=CC=C1)Br
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Identifiers
InChI
InChI=1S/C14H17BrO3/c1-2-18-14(17)9-4-3-8-13(16)11-6-5-7-12(15)10-11/h5-7,10H,2-4,8-9H2,1H3
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InChIKey
WBPHALFXTSWKHZ-UHFFFAOYSA-N
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CAS Registry Number
93568-69-5
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PubChem CID
24727287
1 reference
matched by identifier from
InChIKey
InChIKey
WBPHALFXTSWKHZ-UHFFFAOYSA-N
UniChem compound ID
22738610
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60645512
1 reference
matched by identifier from
InChIKey
InChIKey
WBPHALFXTSWKHZ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70596263
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