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BENZO[b]THIEN-3-YL HYDROXYMETHYL KETONE, alpha,alpha,alpha-TRIFLUORO-p-TOLUATE
SpectraBase Compound ID ITsQjuNQARM
InChI InChI=1S/C18H11F3O3S/c19-18(20,21)12-7-5-11(6-8-12)17(23)24-9-15(22)14-10-25-16-4-2-1-3-13(14)16/h1-8,10H,9H2
InChIKey LWNHOIBKDNNWKM-UHFFFAOYSA-N
Mol Weight 364.34 g/mol
Molecular Formula C18H11F3O3S
Exact Mass 364.0381 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FfsdDhhCBRq
Name BENZO[b]THIEN-3-YL HYDROXYMETHYL KETONE, alpha,alpha,alpha-TRIFLUORO-p-TOLUATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11F3O3S
InChI InChI=1S/C18H11F3O3S/c19-18(20,21)12-7-5-11(6-8-12)17(23)24-9-15(22)14-10-25-16-4-2-1-3-13(14)16/h1-8,10H,9H2
InChIKey LWNHOIBKDNNWKM-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 135C
Molecular Weight 364.35
Solvent CDCl3; Reference=TMS; Temperature 297K