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Isoxadifen-ethyl
SpectraBase Compound ID 3AIQynz81eT
InChI InChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKey MWKVXOJATACCCH-UHFFFAOYSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERC8d1IJWxz
Name Isoxadifen-ethyl
Source of Sample Sigma-Aldrich Cat. #33799
CAS Registry Number 163520-33-0
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 295.120843408 u
Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKey MWKVXOJATACCCH-UHFFFAOYSA-N
Molecular Weight 295.338 g/mol
Number of Peaks 49
RI1 2313
SMILES C(=O)(OCC)C1=NOC(C1)(c1ccccc1)c1ccccc1
SPLASH splash10-05rr-2950000000-0ed1068896db7cb0551a
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 3-Isoxazolecarboxylic acid, 4,5-dihydro-5,5-diphenyl-, ethyl ester
Wiley ID LM_PEST_645