For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1R*,4S*,6R*)-2-THIABICYCLO-[2.2.2]-OCTAN-8-ONE-6-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID LOgRDpgLRcH
InChI InChI=1S/C9H12O3S/c1-12-9(11)6-2-5-4-13-8(6)3-7(5)10/h5-6,8H,2-4H2,1H3/t5-,6-,8+/m0/s1
InChIKey LALQEOHJAGZJFQ-VMHSAVOQSA-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KIgPHGsidxC
Name (1R*,4S*,6R*)-2-THIABICYCLO-[2.2.2]-OCTAN-8-ONE-6-CARBOXYLIC-ACID-METHYLESTER
Compound Number 7B
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)6-2-5-4-13-8(6)3-7(5)10/h5-6,8H,2-4H2,1H3/t5-,6-,8+/m0/s1
InChIKey LALQEOHJAGZJFQ-VMHSAVOQSA-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 UWVP6095