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3-ACETOXY-3-HYDROXY-3',3'-DIMETHYL-8'-(2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)-SPIRO-[2H-1,3-BENZOTHIAZIN-2,6'-(2',4',7')-TRIOXABICYClO-[3.3.0]-OCTANE]

View entire compound with spectra: 1 NMR

3-ACETOXY-3-HYDROXY-3',3'-DIMETHYL-8'-(2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)-SPIRO-[2H-1,3-BENZOTHIAZIN-2,6'-(2',4',7')-TRIOXABICYClO-[3.3.0]-OCTANE]
SpectraBase Compound ID KZVnhBdxFKl
InChI InChI=1S/C21H27NO7S/c1-12(23)29-22-10-13-8-6-7-9-15(13)30-21(22)18-17(26-20(4,5)28-18)16(27-21)14-11-24-19(2,3)25-14/h6-9,14,16-18H,10-11H2,1-5H3/t14?,16-,17+,18+,21+/m1/s1
InChIKey PHKURQZEIJXMLC-NQHNXUKBSA-N
Mol Weight 437.51 g/mol
Molecular Formula C21H27NO7S
Exact Mass 437.150823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ufrMu9n4rz
Name 3-ACETOXY-3-HYDROXY-3',3'-DIMETHYL-8'-(2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)-SPIRO-[2H-1,3-BENZOTHIAZIN-2,6'-(2',4',7')-TRIOXABICYClO-[3.3.0]-OCTANE]
Compound Number 4H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27NO7S
InChI InChI=1S/C21H27NO7S/c1-12(23)29-22-10-13-8-6-7-9-15(13)30-21(22)18-17(26-20(4,5)28-18)16(27-21)14-11-24-19(2,3)25-14/h6-9,14,16-18H,10-11H2,1-5H3/t14?,16-,17+,18+,21+/m1/s1
InChIKey PHKURQZEIJXMLC-NQHNXUKBSA-N
Literature Reference Author H.MEIER,K.SAUL,R.MENGEL,H.P.NIEDERMANN
Literature Reference Citation J.HETCYCL.CHEM.,28,843(1991)
Literature Reference DOI 10.1002/jhet.5570280402
Molecular Weight 437.508 g/mol
Solvent CDCl3
Source File Reference UWCS20313