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3,3-bis(hydroxymethyl)-6,8-dichloro-4-chromanone, dibenzoate (ester)

View entire compound with spectra: 2 NMR, and 1 FTIR

3,3-bis(hydroxymethyl)-6,8-dichloro-4-chromanone, dibenzoate (ester)
SpectraBase Compound ID sA7j7a8P18
InChI InChI=1S/C25H18Cl2O6/c26-18-11-19-21(20(27)12-18)31-13-25(22(19)28,14-32-23(29)16-7-3-1-4-8-16)15-33-24(30)17-9-5-2-6-10-17/h1-12H,13-15H2
InChIKey HAYSJBYFPYKJMT-UHFFFAOYSA-N
Mol Weight 485.32 g/mol
Molecular Formula C25H18Cl2O6
Exact Mass 484.048044 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FG8Ov9VUbmu
Name 3,3-BIS(HYDROXYMETHYL)-6,8-DICHLORO-4-CHROMANONE, DIBENZOATE(ESTER)
Source of Sample A. Cascaval, Polytechnic Institute of Iassy, Iasi, Romania
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18Cl2O6
InChI InChI=1S/C25H18Cl2O6/c26-18-11-19-21(20(27)12-18)31-13-25(22(19)28,14-32-23(29)16-7-3-1-4-8-16)15-33-24(30)17-9-5-2-6-10-17/h1-12H,13-15H2
InChIKey HAYSJBYFPYKJMT-UHFFFAOYSA-N
Melting Point 163-164C
Molecular Weight 485.32
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 4-CHROMANONE, 3,3-BIS/HYDROXYMETHYL/- 6,8-DICHLORO-, DIBENZOATE (ESTER)