PEG Diethylhexanoate n13

Systematic / IUPAC Name:

ID: Reference5479

Other Names: PEG Bis ethyl hexanoate n13

Formula: C42H82O16

Class: Extractables/Leachables Industrial Chemicals

Spectral Data

PEG Diethylhexanoate n13 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 Orbitrap
No. of Spectral Trees 2
No. of Spectra 163
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/8/2019 1:30:07 PM
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Identificators

InChI InChI=1S/C42H82O16/c1-5-9-11-39(7-3)41(43)57-37-35-55-33-31-53-29-27-51-25-23-49-21-19-47-17-15-45-13-14-46-16-18-48-20-22-50-24-26-52-28-30-54-32-34-56-36-38-58-42(44)40(8-4)12-10-6-2/h39-40H,5-38H2,1-4H3
InChI Key OONJZVGEUIODIU-UHFFFAOYSA-N
Canonical SMILES CCCCC(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC
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Other Names PEG Bis ethyl hexanoate n13

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