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

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

hydroxymethyl 3-methylbenzo[b]thien-2-yl ketone, 2,4-dichlorobenzoate
SpectraBase Compound ID FsVwRecbMhR
InChI InChI=1S/C18H12Cl2O3S/c1-10-12-4-2-3-5-16(12)24-17(10)15(21)9-23-18(22)13-7-6-11(19)8-14(13)20/h2-8H,9H2,1H3
InChIKey HIDIQCJPMCADBJ-UHFFFAOYSA-N
Mol Weight 379.26 g/mol
Molecular Formula C18H12Cl2O3S
Exact Mass 377.988421 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EIAQ4pVYUiQ
Name HYDROXYMETHYL 3-METHYLBENZO[b]THIEN-2-YL 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 C18H12Cl2O3S
InChI InChI=1S/C18H12Cl2O3S/c1-10-12-4-2-3-5-16(12)24-17(10)15(21)9-23-18(22)13-7-6-11(19)8-14(13)20/h2-8H,9H2,1H3
InChIKey HIDIQCJPMCADBJ-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 110-112C
Molecular Weight 379.26
Solvent CDCl3; Reference=TMS; Temperature 297K