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CHEBI:235428 - Ring-(13)C6 Butylparaben

ChEBI IDCHEBI:235428
ChEBI NameRing-(13)C6 Butylparaben
Stars
Submitterjhunter
DownloadsMolfile
FormulaC5[13C6]H14O3
Net Charge0
Average Mass200.184
Monoisotopic Mass200.11442
SMILESCCCCOC(=O)[13c]1[13cH][13cH][13c](O)[13cH][13cH]1
InChIInChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3/i4+1,5+1,6+1,7+1,9+1,10+1
InChIKeyQFOHBWFCKVYLES-PXKSRZEUSA-N
ChEBI Ontology
Outgoing Relation(s)
Ring-(13)C6 Butylparaben (CHEBI:235428) is a 4-hydroxybenzoate ester (CHEBI:79323)