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Acetic acid, [2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-, methyl ester
SpectraBase Compound ID GGHLtSXCd6o
InChI InChI=1S/C14H14Cl2O4/c1-4-8(2)14(18)9-5-6-10(13(16)12(9)15)20-7-11(17)19-3/h5-6H,2,4,7H2,1,3H3
InChIKey XFNMYPXAINMYAC-UHFFFAOYSA-N
Mol Weight 317.17 g/mol
Molecular Formula C14H14Cl2O4
Exact Mass 316.026914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID r19ESutkXx
Name Etacrinic acid ME
CAS Registry Number 6463-21-4
Classification Diuretic
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Exact Mass 316.026914327 u
Formula C14H14Cl2O4
InChI InChI=1S/C14H14Cl2O4/c1-4-8(2)14(18)9-5-6-10(13(16)12(9)15)20-7-11(17)19-3/h5-6H,2,4,7H2,1,3H3
InChIKey XFNMYPXAINMYAC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 317.168 g/mol
SMILES C(C(=O)c1c(Cl)c(Cl)c(cc1)OCC(OC)=O)(CC)=C
SPLASH splash10-03di-0290000000-67ac67dfe79170473b4c
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_2630