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spiro[2H-1-benzopyran-2,1'-cyclohexan]-6-ol, benzenesulfonate

View entire compound with spectra: 3 NMR, and 1 FTIR

spiro[2H-1-benzopyran-2,1'-cyclohexan]-6-ol, benzenesulfonate
SpectraBase Compound ID Lg4U5zbXBkJ
InChI InChI=1S/C20H20O4S/c21-25(22,18-7-3-1-4-8-18)24-17-9-10-19-16(15-17)11-14-20(23-19)12-5-2-6-13-20/h1,3-4,7-11,14-15H,2,5-6,12-13H2
InChIKey ITHJNPGOCVBPIO-UHFFFAOYSA-N
Mol Weight 356.44 g/mol
Molecular Formula C20H20O4S
Exact Mass 356.10823 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2H9sVn13TGI
Name SPIRO[2H-1-BENZOPYRAN-2,1'-CYCLOHEXAN]-6-OL, BENZENESULFONATE
Source of Sample A. Cascaval, "Al. I. CUZA" University of Iassy, Iasi, Romania
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O4S
InChI InChI=1S/C20H20O4S/c21-25(22,18-7-3-1-4-8-18)24-17-9-10-19-16(15-17)11-14-20(23-19)12-5-2-6-13-20/h1,3-4,7-11,14-15H,2,5-6,12-13H2
InChIKey ITHJNPGOCVBPIO-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 82-83C
Molecular Weight 356.44
Solvent CDCl3; Reference=TMS; Temperature 297K