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

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

3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-1-BENZOTHIOPYRAN-4-ONE, BIS(2,4-DICHLOROBENZOATE)
SpectraBase Compound ID 420E8we3qa8
InChI InChI=1S/C25H16Cl4O5S/c26-14-5-7-16(19(28)9-14)23(31)33-11-25(13-35-21-4-2-1-3-18(21)22(25)30)12-34-24(32)17-8-6-15(27)10-20(17)29/h1-10H,11-13H2
InChIKey ZGCSHXLAYGBOAE-UHFFFAOYSA-N
Mol Weight 570.3 g/mol
Molecular Formula C25H16Cl4O5S
Exact Mass 567.947256 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID CT66UORC6Bz
Name 3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-1-BENZOTHIOPYRAN-4-ONE, BIS(2,4-DICHLOROBENZOATE)
Source of Sample BIONET RESEARCH LTD., CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H16Cl4O5S
InChI InChI=1S/C25H16Cl4O5S/c26-14-5-7-16(19(28)9-14)23(31)33-11-25(13-35-21-4-2-1-3-18(21)22(25)30)12-34-24(32)17-8-6-15(27)10-20(17)29/h1-10H,11-13H2
InChIKey ZGCSHXLAYGBOAE-UHFFFAOYSA-N
Melting Point 146-148C
Molecular Weight 570.28
Technique KBr WAFER