Diheptyl phthalate

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Systematic / IUPAC Name: Diheptyl benzene-1,2-dicarboxylate

ID: Reference2391

Other Names: Heptyl phthalate;
Di-n-Heptylphthalate;
Phthalic acid diheptyl ester;
n-Diheptyl phthalate;
Diheptyl ester of phthalic acid ; more

Formula: C22H34O4

Class: Industrial Chemicals Textile Chemicals/Auxiliary/Dyes Extractables/Leachables

Spectral Data

Diheptyl phthalate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/16/2016 12:01:52 PM
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Identificators

InChI InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
InChI Key JQCXWCOOWVGKMT-UHFFFAOYSA-N
Canonical SMILES CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC
CAS 3648213
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Other Names Heptyl phthalate;
Di-n-Heptylphthalate;
Phthalic acid diheptyl ester;
n-Diheptyl phthalate;
Diheptyl ester of phthalic acid;
Diheptyl 1,2-benzenedicarboxylate;
1,2-Benzenedicarboxylic acid diheptyl ester;
Heptyl 2-(heptyloxycarbonyl)benzoate;
Dihept-1-yl phthalate

In Other Databases

KEGG C14575
ChEMBL CHEMBL2140472
ChemSpider 18194
ChemIDPlus 003648213
PubChem 19284