MCPA-isooctyl
13588
Reference
MCPA-isooctyl Structure
Systematic / IUPAC Name: 6-Methylheptyl 2-(4-chloro-2-methylphenoxy)acetate
ID: Reference13588
Other Names: (4-Chloro-2-methylphenoxy)acetic acid isooctyl ester
Formula: C17H25ClO3
Class: Pesticides/Herbicides
Spectral Data
MCPA-isooctyl 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 | Orbitrap ID-X with ETD_Cal Gateshead |
| No. of Spectral Trees | 1 |
| No. of Spectra | 375 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/6/2025 8:40:45 AM |
Identificators
| InChI | InChI=1S/C17H25ClO3/c1-13(2)7-5-4-6-10-20-17(19)12-21-16-9-8-15(18)11-14(16)3/h8-9,11,13H,4-7,10,12H2,1-3H3 |
| InChI Key | PDIYKJRLQHHRAG-UHFFFAOYSA-N |
| Canonical SMILES | Cc1cc(Cl)ccc1OCC(=O)OCCCCCC(C)C |
| CAS | |
| Splash | |
| Other Names | (4-Chloro-2-methylphenoxy)acetic acid isooctyl ester |