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

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

3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-1-BENZOTHIOPYRAN-4-ONE, DIBENZOATE
SpectraBase Compound ID 4hMY2OtTkYV
InChI InChI=1S/C25H20O5S/c26-22-20-13-7-8-14-21(20)31-17-25(22,15-29-23(27)18-9-3-1-4-10-18)16-30-24(28)19-11-5-2-6-12-19/h1-14H,15-17H2
InChIKey PXHSWFKNGFNYGH-UHFFFAOYSA-N
Mol Weight 432.49 g/mol
Molecular Formula C25H20O5S
Exact Mass 432.103145 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 1r6GwatsQYQ
Name 3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-1-BENZOTHIOPYRAN-4-ONE, DIBENZOATE
Source of Sample BIONET RESEARCH LTD., CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20O5S
InChI InChI=1S/C25H20O5S/c26-22-20-13-7-8-14-21(20)31-17-25(22,15-29-23(27)18-9-3-1-4-10-18)16-30-24(28)19-11-5-2-6-12-19/h1-14H,15-17H2
InChIKey PXHSWFKNGFNYGH-UHFFFAOYSA-N
Melting Point 128-130C
Molecular Weight 432.50
Technique KBr WAFER