Benzyl octyl adipate
3135
Reference
Benzyl octyl adipate Structure
Systematic / IUPAC Name: 6-O-Benzyl 1-O-octyl hexanedioate
ID: Reference3135
Other Names:
Hexanedioic acid, 1-octyl 6-(phenylmethyl) ester;
Hexanedioic acid, octyl phenylmethyl ester
Formula: C21H32O4
Class: Extractables/Leachables
Spectral Data
Benzyl octyl adipate 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 | 1 |
| No. of Spectra | 232 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 10/20/2015 10:03:53 AM |
Identificators
| InChI | InChI=1S/C21H32O4/c1-2-3-4-5-6-12-17-24-20(22)15-10-11-16-21(23)25-18-19-13-8-7-9-14-19/h7-9,13-14H,2-6,10-12,15-18H2,1H3 |
| InChI Key | DECACTMEFWAFRE-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCCCCOC(=O)CCCCC(=O)OCC1=CC=CC=C1 |
| CAS | 3089552 |
| Splash | |
| Other Names |
Hexanedioic acid, 1-octyl 6-(phenylmethyl) ester; Hexanedioic acid, octyl phenylmethyl ester |