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Fluoroglycofen-ethyl
SpectraBase Compound ID 96QYmniEAaA
InChI InChI=1S/C18H13ClF3NO7/c1-2-28-16(24)9-29-17(25)12-8-11(4-5-14(12)23(26)27)30-15-6-3-10(7-13(15)19)18(20,21)22/h3-8H,2,9H2,1H3
InChIKey IPPAUTOBDWNELX-UHFFFAOYSA-N
Mol Weight 447.75 g/mol
Molecular Formula C18H13ClF3NO7
Exact Mass 447.033264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYcEvdMppIq
Name Fluoroglycofen-ethyl
Source of Sample Sigma-Aldrich Cat. #31674
CAS Registry Number 77501-90-7
Classification Pesticides: Herbicides
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 447.033263945 u
Formula C18H13ClF3NO7
InChI InChI=1S/C18H13ClF3NO7/c1-2-28-16(24)9-29-17(25)12-8-11(4-5-14(12)23(26)27)30-15-6-3-10(7-13(15)19)18(20,21)22/h3-8H,2,9H2,1H3
InChIKey IPPAUTOBDWNELX-UHFFFAOYSA-N
Molecular Weight 447.750 g/mol
Number of Peaks 47
RI1 2623
SMILES c1(Cl)c(Oc2cc(c(N(=O)=O)cc2)C(=O)OCC(=O)OCC)ccc(c1)C(F)(F)F
SPLASH splash10-002e-5279300000-4ee31e67c473c145e56b
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 2-ethoxy-2-oxoethyl ester
Wiley ID LM_PEST_554