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Benalaxyl
SpectraBase Compound ID 52n3ufsWtqP
InChI InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3
InChIKey CJPQIRJHIZUAQP-UHFFFAOYSA-N
Mol Weight 325.41 g/mol
Molecular Formula C20H23NO3
Exact Mass 325.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SD8wfAVgvx
Name Benalaxyl
Source of Sample Sigma-Aldrich Cat. #31222
CAS Registry Number 71626-11-4
Classification Pesticides: Fungicides
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 325.167793602 u
Formula C20H23NO3
InChI InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3
InChIKey CJPQIRJHIZUAQP-UHFFFAOYSA-N
Molecular Weight 325.408 g/mol
Number of Peaks 49
RI1 2312
SMILES c1ccc(cc1)CC(N(c1c(cccc1C)C)C(C(=O)OC)C)=O
SPLASH splash10-0005-6930000000-5f506ef215e0cea7fa9b
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 Alanine, N-(2,6-dimethylphenyl)-N-(phenylacetyl)-, methyl ester
Wiley ID LM_PEST_13