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3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-1-BENZOTHIOPYRAN-4-ONE

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

3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-1-BENZOTHIOPYRAN-4-ONE
SpectraBase Compound ID KasTo429KtI
InChI InChI=1S/C11H12O3S/c12-5-11(6-13)7-15-9-4-2-1-3-8(9)10(11)14/h1-4,12-13H,5-7H2
InChIKey QDCSRSPNQICTRP-UHFFFAOYSA-N
Mol Weight 224.27 g/mol
Molecular Formula C11H12O3S
Exact Mass 224.050715 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G6W4LbpRCLJ
Name 3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-1-BENZOTHIOPYRAN-4-ONE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O3S
InChI InChI=1S/C11H12O3S/c12-5-11(6-13)7-15-9-4-2-1-3-8(9)10(11)14/h1-4,12-13H,5-7H2
InChIKey QDCSRSPNQICTRP-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 142-145C
Molecular Weight 224.28
Solvent DMSO-d6; Reference=TMS; Temperature 297K