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

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4lR9GetMvQ8
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 © 1980, 1981-2024 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
Melting Point 82-83C
Molecular Weight 356.44
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms SPIRO/2H-1-BENZOPYRAN-2,1'-CYCLOHEXAN/-6-OL, BENZENESULFONATE