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Reference substances

Reference substances

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IUPAC name:
1-benzyl 2-butyl benzene-1,2-dicarboxylate

Inventory

EC number:
201-622-7
EC name:
Benzyl butyl phthalate
CAS number:
85-68-7
CAS number:
85-68-7
Synonyms
Names:
1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester
Identifier:
IUPAC name
benzyl butyl phthalate
Identifier:
other: SMILES notation
CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2
1-benzyl 2-butyl benzene-1,2-dicarboxylate

Molecular and structural information

Molecular formula:
C19H20O4
Molecular weight:
312.37
SMILES notation:
O=C(OCc(cccc1)c1)c(c(ccc2)C(=O)OCCCC)c2
InChl:
InChI=1/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
Structural formula:
Chemical structure

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