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(Q82026448)
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English
1-ethynylcyclohexyl 4-nitrobenzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
273.2845
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₅NO₄
0 references
canonical SMILES
C#CC1(CCCCC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C15H15NO4/c1-2-15(10-4-3-5-11-15)20-14(17)12-6-8-13(9-7-12)16(18)19/h1,6-9H,3-5,10-11H2
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InChIKey
BPYBIIHGHNSCFS-UHFFFAOYSA-N
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CAS Registry Number
36144-39-5
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PubChem CID
246605
1 reference
matched by identifier from
InChIKey
InChIKey
BPYBIIHGHNSCFS-UHFFFAOYSA-N
UniChem compound ID
32619145
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60289233
1 reference
matched by identifier from
InChIKey
InChIKey
BPYBIIHGHNSCFS-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10240379
0 references
NSC number
59916
0 references
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