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Etacrinic acid ET
SpectraBase Compound ID FYdf0Uyd6E1
InChI InChI=1S/C15H16Cl2O4/c1-4-9(3)15(19)10-6-7-11(14(17)13(10)16)21-8-12(18)20-5-2/h6-7H,3-5,8H2,1-2H3
InChIKey ZEMGAZROIIAAMG-UHFFFAOYSA-N
Mol Weight 331.2 g/mol
Molecular Formula C15H16Cl2O4
Exact Mass 330.042564 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hcENDHy9Aq
Name Etacrinic acid ET
Classification Diuretic
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Exact Mass 330.042564391 u
Formula C15H16Cl2O4
InChI InChI=1S/C15H16Cl2O4/c1-4-9(3)15(19)10-6-7-11(14(17)13(10)16)21-8-12(18)20-5-2/h6-7H,3-5,8H2,1-2H3
InChIKey ZEMGAZROIIAAMG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 331.195 g/mol
SMILES C(C(=O)c1c(Cl)c(Cl)c(cc1)OCC(OCC)=O)(CC)=C
SPLASH splash10-03di-3494000000-fa175d121ba0f537f06a
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_2631