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m-chlorocarbanilic acid, 4-chloro-2-butynyl ester
SpectraBase Compound ID BAyz2WW7WHS
InChI InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)
InChIKey MCOQHIWZJUDQIC-UHFFFAOYSA-N
Mol Weight 258.1 g/mol
Molecular Formula C11H9Cl2NO2
Exact Mass 257.001034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Vf63MDjAcK
Name Barban
Source of Sample Sigma-Aldrich Cat. #N11123
CAS Registry Number 101-27-9
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 257.001033932 u
Formula C11H9Cl2NO2
InChI InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)
InChIKey MCOQHIWZJUDQIC-UHFFFAOYSA-N
Molecular Weight 258.104 g/mol
Number of Peaks 46
RI1 2186
SMILES N(c1cccc(c1)Cl)C(=O)OCC#CCCl
SPLASH splash10-0uk9-9620000000-c0f5b0ad1cea170c3813
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 Carbamic acid, N-(3-chlorophenyl)-, 4-chloro-2-butyn-1-yl ester
Wiley ID LM_PEST_536