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Benzoic acid, 3-amino-2,5-dichloro-, methyl ester
SpectraBase Compound ID WcXt3ANXnv
InChI InChI=1S/C8H7Cl2NO2/c1-13-8(12)5-2-4(9)3-6(11)7(5)10/h2-3H,11H2,1H3
InChIKey DTSSCQVCVYZGSI-UHFFFAOYSA-N
Mol Weight 220.05 g/mol
Molecular Formula C8H7Cl2NO2
Exact Mass 218.985384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NJAU7HtIGf
Name Chloramben ME
Classification Herbicide
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Exact Mass 218.985383867 u
Formula C8H7Cl2NO2
InChI InChI=1S/C8H7Cl2NO2/c1-13-8(12)5-2-4(9)3-6(11)7(5)10/h2-3H,11H2,1H3
InChIKey DTSSCQVCVYZGSI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 220.055 g/mol
Related CAS Registry Number(s) 133-90-4
SMILES c1(c(c(cc(c1)Cl)N)Cl)C(=O)OC
SPLASH splash10-03ki-5920000000-b2968710f246578e3645
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_4139