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

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

3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-1-BENZOPYRAN-4-ONE, DIBENZOATE
SpectraBase Compound ID A7qV7O6cos3
InChI InChI=1S/C25H20O6/c26-22-20-13-7-8-14-21(20)29-15-25(22,16-30-23(27)18-9-3-1-4-10-18)17-31-24(28)19-11-5-2-6-12-19/h1-14H,15-17H2
InChIKey ZQJBEWUOPBCROR-UHFFFAOYSA-N
Mol Weight 416.43 g/mol
Molecular Formula C25H20O6
Exact Mass 416.125988 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6KAMIxTBk4K
Name 3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-1-BENZOPYRAN-4-ONE, DIBENZOATE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20O6
InChI InChI=1S/C25H20O6/c26-22-20-13-7-8-14-21(20)29-15-25(22,16-30-23(27)18-9-3-1-4-10-18)17-31-24(28)19-11-5-2-6-12-19/h1-14H,15-17H2
InChIKey ZQJBEWUOPBCROR-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 128-130C
Molecular Weight 416.43
Solvent CDCl3; Reference=TMS; Temperature 297K