PEG Diethylhexanoate n12
5472
Reference
PEG Diethylhexanoate n12 Structure
Systematic / IUPAC Name:
ID: Reference5472
Other Names:
PEG Bis ethyl hexanoate n12 ;
PEG Bis(2-ethylhexanoate) n12
Formula: C40H78O15
Class: Extractables/Leachables Industrial Chemicals
Spectral Data
PEG Diethylhexanoate n12 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 | 157 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 1/8/2019 1:25:22 PM |
Identificators
| InChI | InChI=1S/C40H78O15/c1-5-9-11-37(7-3)39(41)54-35-33-52-31-29-50-27-25-48-23-21-46-19-17-44-15-13-43-14-16-45-18-20-47-22-24-49-26-28-51-30-32-53-34-36-55-40(42)38(8-4)12-10-6-2/h37-38H,5-36H2,1-4H3 |
| InChI Key | YHLFKQPSBXFZPJ-UHFFFAOYSA-N |
| Canonical SMILES | CCCCC(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC |
| CAS | |
| Splash | |
| Other Names |
PEG Bis ethyl hexanoate n12 ; PEG Bis(2-ethylhexanoate) n12 |