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Benzeneacetic acid, 4-chloro-.alpha.-(4-chlorophenyl)-.alpha.-hydroxy-, 1-methylethyl ester
SpectraBase Compound ID GpN3gpwL3cJ
InChI InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
InChIKey AXGUBXVWZBFQGA-UHFFFAOYSA-N
Mol Weight 339.22 g/mol
Molecular Formula C17H16Cl2O3
Exact Mass 338.04765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tMzF56w3iR
Name Chloropropylate
CAS Registry Number 5836-10-2
Classification Acaricide
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Exact Mass 338.047649772 u
Formula C17H16Cl2O3
InChI InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
InChIKey AXGUBXVWZBFQGA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 339.218 g/mol
SMILES c1cc(ccc1C(C(OC(C)C)=O)(c1ccc(cc1)Cl)O)Cl
SPLASH splash10-0udi-1790000000-777d85192b44ac1074ea
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_3513