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Ethacrynic acid

View entire compound with spectra: 2 NMR, 2 FTIR, 1 Raman, and 9 MS (GC)

Ethacrynic acid
SpectraBase Compound ID 9RLHNGc3Md9
InChI InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
InChIKey AVOLMBLBETYQHX-UHFFFAOYSA-N
Mol Weight 303.14 g/mol
Molecular Formula C13H12Cl2O4
Exact Mass 302.011264 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID D7K6tj55g6O
Name Ethacrynic acid
Source of Sample Alltech Associates, Inc., Grace Davison Discovery Sciences
Catalog Number 01609
Lot Number 402
Accessory DurasamplIR II
CAS Registry Number 58-54-8
Classification Diuretic
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Formula C13H12Cl2O4
InChI InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
InChIKey AVOLMBLBETYQHX-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms Acetic acid, (2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy)-
Technique ATR-Neat (DuraSamplIR II)