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(1S*,4S*,5S*)-2-THIABICYCLO-[2.2.2]-OCTAN-7-ONE-5-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID 3fPXNEKxn7f
InChI InChI=1S/C9H12O3S/c1-12-9(11)6-3-8-7(10)2-5(6)4-13-8/h5-6,8H,2-4H2,1H3/t5-,6+,8+/m1/s1
InChIKey SZIDSRBURXILJZ-CHKWXVPMSA-N
Mol Weight 200.25 g/mol
Molecular Formula C9H12O3S
Exact Mass 200.050715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2tCWem5svjK
Name (1S*,4S*,5S*)-2-THIABICYCLO-[2.2.2]-OCTAN-7-ONE-5-CARBOXYLIC-ACID-METHYLESTER
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12O3S
InChI InChI=1S/C9H12O3S/c1-12-9(11)6-3-8-7(10)2-5(6)4-13-8/h5-6,8H,2-4H2,1H3/t5-,6+,8+/m1/s1
InChIKey SZIDSRBURXILJZ-CHKWXVPMSA-N
Literature Reference Author D.E.WARD,Y.GAI
Literature Reference Citation CAN.J.CHEM.,70,2627(1992)
Literature Reference DOI 10.1139/v92-331
Molecular Weight 200.252 g/mol
Solvent CDCl3
Source File Reference UWVP6103