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spiro[chroman-2,1'-cyclohexane]-4,6-diol, 6-(benzenesulfonate)

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spiro[chroman-2,1'-cyclohexane]-4,6-diol, 6-(benzenesulfonate)
SpectraBase Compound ID 9I0SnpaToOp
InChI InChI=1S/C20H22O5S/c21-18-14-20(11-5-2-6-12-20)24-19-10-9-15(13-17(18)19)25-26(22,23)16-7-3-1-4-8-16/h1,3-4,7-10,13,18,21H,2,5-6,11-12,14H2
InChIKey NVVZRGKSXGAEQN-UHFFFAOYSA-N
Mol Weight 374.45 g/mol
Molecular Formula C20H22O5S
Exact Mass 374.118795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4AzLQ6Gg0YC
Name SPIRO[CHROMAN-2,1'-CYCLOHEXANE]-4,6-DIOL, 6-(BENZENESULFONATE)
Source of Sample A. Cascaval, "Al. I. CUZA" University of Iassy, Iasi, Romania
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O5S
InChI InChI=1S/C20H22O5S/c21-18-14-20(11-5-2-6-12-20)24-19-10-9-15(13-17(18)19)25-26(22,23)16-7-3-1-4-8-16/h1,3-4,7-10,13,18,21H,2,5-6,11-12,14H2
InChIKey NVVZRGKSXGAEQN-UHFFFAOYSA-N
Melting Point 109-110C
Molecular Weight 374.46
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms SPIRO/CHROMAN-2,1'-CYCLOHEXANE/- 4,6-DIOL, 6-/BENZENESULFONATE/