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(Q82167076)
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English
ethyl 4-butyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
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
223.157228912
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₂₁NO₂
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canonical SMILES
CCCCC1=C(NC(=C1C)C(=O)OCC)C
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Identifiers
InChI
InChI=1S/C13H21NO2/c1-5-7-8-11-9(3)12(14-10(11)4)13(15)16-6-2/h14H,5-8H2,1-4H3
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InChIKey
STNGULMWFPMOCE-UHFFFAOYSA-N
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CAS Registry Number
34549-87-6
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PubChem CID
2769440
1 reference
matched by identifier from
InChIKey
InChIKey
STNGULMWFPMOCE-UHFFFAOYSA-N
UniChem compound ID
1170068
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90377738
1 reference
matched by identifier from
InChIKey
InChIKey
STNGULMWFPMOCE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50328766
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