PEG Diethylhexanoate n13
5479
Reference
PEG Diethylhexanoate n13 Structure
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.
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 |
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 |
| CAS | |
| Splash | |
| Other Names | PEG Bis ethyl hexanoate n13 |