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5-chloro-3-methylbenzo[b]thien-2-yl hydroxymethyl ketone, 2,4-dichlorobenzoate

View entire compound with spectra: 2 NMR, and 1 FTIR

5-chloro-3-methylbenzo[b]thien-2-yl hydroxymethyl ketone, 2,4-dichlorobenzoate
SpectraBase Compound ID JVvKBIVCuFs
InChI InChI=1S/C18H11Cl3O3S/c1-9-13-6-10(19)3-5-16(13)25-17(9)15(22)8-24-18(23)12-4-2-11(20)7-14(12)21/h2-7H,8H2,1H3
InChIKey UVZSRIUENWKIMN-UHFFFAOYSA-N
Mol Weight 413.7 g/mol
Molecular Formula C18H11Cl3O3S
Exact Mass 411.949448 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D7Fg3gTNsqJ
Name 5-CHLORO-3-METHYLBENZO[b]THIEN-2-YL HYDROXYMETHYL KETONE, 2,4-DICHLOROBENZOATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11Cl3O3S
InChI InChI=1S/C18H11Cl3O3S/c1-9-13-6-10(19)3-5-16(13)25-17(9)15(22)8-24-18(23)12-4-2-11(20)7-14(12)21/h2-7H,8H2,1H3
InChIKey UVZSRIUENWKIMN-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 163-165C
Molecular Weight 413.71
Solvent CDCl3; Reference=TMS; Temperature 297K