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Lactofen
SpectraBase Compound ID IoN6TLnFAuY
InChI InChI=1S/C19H15ClF3NO7/c1-3-29-17(25)10(2)30-18(26)13-9-12(5-6-15(13)24(27)28)31-16-7-4-11(8-14(16)20)19(21,22)23/h4-10H,3H2,1-2H3
InChIKey CONWAEURSVPLRM-UHFFFAOYSA-N
Mol Weight 461.78 g/mol
Molecular Formula C19H15ClF3NO7
Exact Mass 461.048914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2r45oUss1xz
Name Lactofen
Source of Sample Sigma-Aldrich Cat. #32972
CAS Registry Number 77501-63-4
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 461.048914009 u
Formula C19H15ClF3NO7
InChI InChI=1S/C19H15ClF3NO7/c1-3-29-17(25)10(2)30-18(26)13-9-12(5-6-15(13)24(27)28)31-16-7-4-11(8-14(16)20)19(21,22)23/h4-10H,3H2,1-2H3
InChIKey CONWAEURSVPLRM-UHFFFAOYSA-N
Molecular Weight 461.777 g/mol
Number of Peaks 50
RI1 2592
SMILES c1(c(ccc(c1)Oc1c(cc(C(F)(F)F)cc1)Cl)N(=O)=O)C(OC(C(OCC)=O)C)=O
SPLASH splash10-002e-4159100000-57498cbeb350d3c89e14
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-1-methyl-2-oxoethyl ester
Wiley ID LM_PEST_646