Flumiclorac-pentyl

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Systematic / IUPAC Name: Pentyl [2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)-4-fluorophenoxy]acetate

ID: Reference2133

Other Names: Resource;
Sumiverde;
Acetic acid, [2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester;
Pentyl 2-[2-chloro-5-(1,3-dioxo-2,3,4,5,6,7-hexahydro-1H-isoindol-2-yl)-4-fluorophenoxy]acetate

Formula: C21H23ClFNO5

Class: Pesticides/Herbicides

Spectral Data

Flumiclorac-pentyl 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 Orbitrap ID-X with ETD_Cal Gateshead ; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 5
No. of Spectra 9200
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 7/21/2015 11:53:42 AM
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Identificators

InChI InChI=1S/C21H23ClFNO5/c1-2-3-6-9-28-19(25)12-29-18-11-17(16(23)10-15(18)22)24-20(26)13-7-4-5-8-14(13)21(24)27/h10-11H,2-9,12H2,1H3
InChI Key IRECWLYBCAZIJM-UHFFFAOYSA-N
Canonical SMILES CCCCCOC(=O)COC1=C(C=C(C(=C1)N2C(=O)C3=C(C2=O)CCCC3)F)Cl
CAS 87546187
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Other Names Resource;
Sumiverde;
Acetic acid, [2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester;
Pentyl 2-[2-chloro-5-(1,3-dioxo-2,3,4,5,6,7-hexahydro-1H-isoindol-2-yl)-4-fluorophenoxy]acetate

In Other Databases

ChEMBL CHEMBL1897630
ChemSpider 391348
PubChem 443048
KEGG C10990
ChemIDPlus 087546187
HMDb HMDB34860