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

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

3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-1-BENZOTHIOPYRAN-4-ONE, DI-p-ANISATE
SpectraBase Compound ID BrU59fbpO3U
InChI InChI=1S/C27H24O7S/c1-31-20-11-7-18(8-12-20)25(29)33-15-27(17-35-23-6-4-3-5-22(23)24(27)28)16-34-26(30)19-9-13-21(32-2)14-10-19/h3-14H,15-17H2,1-2H3
InChIKey SYPYNSPWLHQVFM-UHFFFAOYSA-N
Mol Weight 492.54 g/mol
Molecular Formula C27H24O7S
Exact Mass 492.124274 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HvAxv6EI26g
Name 3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-1-BENZOTHIOPYRAN-4-ONE, DI-p-ANISATE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24O7S
InChI InChI=1S/C27H24O7S/c1-31-20-11-7-18(8-12-20)25(29)33-15-27(17-35-23-6-4-3-5-22(23)24(27)28)16-34-26(30)19-9-13-21(32-2)14-10-19/h3-14H,15-17H2,1-2H3
InChIKey SYPYNSPWLHQVFM-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 124-126C
Molecular Weight 492.55
Solvent CDCl3; Reference=TMS; Temperature 297K