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CHEBI:235430 - Ring-1,2-(13)C2, dicarboxyl-(13)C2 Mono-butylphthalate

ChEBI IDCHEBI:235430
ChEBI NameRing-1,2-(13)C2, dicarboxyl-(13)C2 Mono-butylphthalate
Stars
Submitterjhunter
DownloadsMolfile
FormulaC8[13C4]H14O4
Net Charge0
Average Mass226.209
Monoisotopic Mass226.10263
SMILESCCCCO[13C](=O)[13c]1cccc[13c]1[13C](=O)O
InChIInChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)/i9+1,10+1,11+1,12+1
InChIKeyYZBOVSFWWNVKRJ-BMHINFNASA-N
ChEBI Ontology
Outgoing Relation(s)
Ring-1,2-(13)C2, dicarboxyl-(13)C2 Mono-butylphthalate (CHEBI:235430) is a benzoate ester (CHEBI:36054)