CHEBI:34595 - Butylbenzyl phthalate

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ChEBI Name Butylbenzyl phthalate
ChEBI ID CHEBI:34595
Stars This entity has been manually annotated by a third party.
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Formulae C19H20O4
C19H20O4
Net Charge 0
Average Mass 312.360
Monoisotopic Mass 312.136
InChI InChI=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
InChIKey IRIAEXORFWYRCZ-UHFFFAOYSA-N
SMILES CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1
ChEBI Ontology
Outgoing Butylbenzyl phthalate (CHEBI:34595) is a benzyl ester (CHEBI:90628)
Synonyms Sources
Butyl phenylmethyl 1,2-benzenedicarboxylate KEGG COMPOUND
Butylbenzyl phthalate KEGG COMPOUND
Manual Xrefs Databases
C14211 KEGG COMPOUND
LSM-20963 LINCS
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Registry Number Type Source
85-68-7 CAS Registry Number KEGG COMPOUND
Last Modified
25 February 2016