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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:34595 - Butylbenzyl phthalate
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ChEBI Ontology
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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
312.13616
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
View more database links
Registry Number
Type
Source
85-68-7
CAS Registry Number
KEGG COMPOUND
Last Modified
25 February 2016