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hydroxymethyl 3-methylbenzo[b]thien-2-yl ketone, o-toluate

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

hydroxymethyl 3-methylbenzo[b]thien-2-yl ketone, o-toluate
SpectraBase Compound ID ISfnpDmrtAV
InChI InChI=1S/C19H16O3S/c1-12-7-3-4-8-14(12)19(21)22-11-16(20)18-13(2)15-9-5-6-10-17(15)23-18/h3-10H,11H2,1-2H3
InChIKey IFOKSLARULEHMU-UHFFFAOYSA-N
Mol Weight 324.39 g/mol
Molecular Formula C19H16O3S
Exact Mass 324.082016 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IrnCDGnP1Or
Name HYDROXYMETHYL 3-METHYLBENZO[b]THIEN-2-YL KETONE, o-TOLUATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16O3S
InChI InChI=1S/C19H16O3S/c1-12-7-3-4-8-14(12)19(21)22-11-16(20)18-13(2)15-9-5-6-10-17(15)23-18/h3-10H,11H2,1-2H3
InChIKey IFOKSLARULEHMU-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 128-130C
Molecular Weight 324.40
Solvent CDCl3; Reference=TMS; Temperature 297K