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CHEBI:34595 - Butylbenzyl phthalate

ChEBI IDCHEBI:34595
ChEBI NameButylbenzyl phthalate
Stars
Last Modified25 February 2016
DownloadsMolfile
FormulaC19H20O4
Net Charge0
Average Mass312.365
Monoisotopic Mass312.13616
SMILESCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1
InChIInChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
InChIKeyIRIAEXORFWYRCZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Butylbenzyl phthalate (CHEBI:34595) is a benzyl ester (CHEBI:90628)
Synonyms  Source
Butylbenzyl phthalateKEGG COMPOUND
Butyl phenylmethyl 1,2-benzenedicarboxylateKEGG COMPOUND
Manual XrefsDatabases
C14211KEGG COMPOUND
LSM-20963LINCS
Registry NumbersSources
CAS:85-68-7KEGG COMPOUND