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METHYL-(3R*,6R*,8AR*,10R*)-3,4,7,8-TETRAHYDRO-6-HYDROXY-6H-3,8A-ETHANO-1H-2-BENZOTHIOPYRAN-10-CARBOXYLATE
SpectraBase Compound ID U9WESjMv2c
InChI InChI=1S/C13H18O3S/c1-16-12(15)10-6-13-3-2-9(14)4-8(13)5-11(10)17-7-13/h4,9-11,14H,2-3,5-7H2,1H3/t9-,10+,11-,13+/m1/s1
InChIKey OGIUXMBMKWIWKW-XZUYRWCXSA-N
Mol Weight 254.34 g/mol
Molecular Formula C13H18O3S
Exact Mass 254.097666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L6E4uwXA0mj
Name METHYL-(3R*,6R*,8AR*,10R*)-3,4,7,8-TETRAHYDRO-6-HYDROXY-6H-3,8A-ETHANO-1H-2-BENZOTHIOPYRAN-10-CARBOXYLATE
Compound Number 44B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18O3S
InChI InChI=1S/C13H18O3S/c1-16-12(15)10-6-13-3-2-9(14)4-8(13)5-11(10)17-7-13/h4,9-11,14H,2-3,5-7H2,1H3/t9-,10+,11-,13+/m1/s1
InChIKey OGIUXMBMKWIWKW-XZUYRWCXSA-N
Literature Reference Author D.E.WARD,Y.GAI
Literature Reference Citation CAN.J.CHEM.,75,681(1997)
Literature Reference DOI 10.1139/v97-082
Molecular Weight 254.344 g/mol
Solvent CDCl3
Source File Reference UWCP5037