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Boscalid
SpectraBase Compound ID 7ztBgQhMEEz
InChI InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)
InChIKey WYEMLYFITZORAB-UHFFFAOYSA-N
Mol Weight 343.21 g/mol
Molecular Formula C18H12Cl2N2O
Exact Mass 342.032668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GeLjH7erOp1
Name Boscalid
Source of Sample Sigma-Aldrich Cat. #33875
CAS Registry Number 188425-85-6
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 342.032668413 u
Formula C18H12Cl2N2O
InChI InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)
InChIKey WYEMLYFITZORAB-UHFFFAOYSA-N
Molecular Weight 343.213 g/mol
Number of Peaks 50
RI1 2817
SMILES N(C(c1c(Cl)nccc1)=O)c1c(-c2ccc(Cl)cc2)cccc1
SPLASH splash10-0006-1903000000-3ab1ef9212422087b48f
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-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-
Wiley ID LM_PEST_149