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Profluralin
SpectraBase Compound ID 9JgxI0X5FS4
InChI InChI=1S/C14H16F3N3O4/c1-2-5-18(8-9-3-4-9)13-11(19(21)22)6-10(14(15,16)17)7-12(13)20(23)24/h6-7,9H,2-5,8H2,1H3
InChIKey ITVQAKZNYJEWKS-UHFFFAOYSA-N
Mol Weight 347.29 g/mol
Molecular Formula C14H16F3N3O4
Exact Mass 347.10929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gxi2iCZwEqS
Name Profluralin
Source of Sample Sigma-Aldrich Cat. #45633
CAS Registry Number 26399-36-0
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 347.109290492 u
Formula C14H16F3N3O4
InChI InChI=1S/C14H16F3N3O4/c1-2-5-18(8-9-3-4-9)13-11(19(21)22)6-10(14(15,16)17)7-12(13)20(23)24/h6-7,9H,2-5,8H2,1H3
InChIKey ITVQAKZNYJEWKS-UHFFFAOYSA-N
Molecular Weight 347.294 g/mol
Number of Peaks 48
RI1 1773
SMILES c1c(cc(c(c1N(=O)=O)N(CC1CC1)CCC)N(=O)=O)C(F)(F)F
SPLASH splash10-0a4i-9102000000-b90a9078f4566c8ffdf8
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 Benzenamine, N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)-
Wiley ID LM_PEST_546