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UBVZSANIIDEPCE-RNFRBKRXSA-N
SpectraBase Compound ID 9E5iPARxhml
InChI InChI=1S/C8H12O2S/c9-8-5-11-7-4-2-1-3-6(7)10-8/h6-7H,1-5H2/t6-,7-/m1/s1
InChIKey UBVZSANIIDEPCE-RNFRBKRXSA-N
Mol Weight 172.24 g/mol
Molecular Formula C8H12O2S
Exact Mass 172.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5u8In7uw3E1
Name TRANS-HEPTAHYDRO-1,4-BENZOXATHIAN-2-ONE
CAS Registry Number 82622-16-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12O2S
InChI InChI=1S/C8H12O2S/c9-8-5-11-7-4-2-1-3-6(7)10-8/h6-7H,1-5H2/t6-,7-/m1/s1
InChIKey UBVZSANIIDEPCE-RNFRBKRXSA-N
Literature Reference Author C.N.BARRY,S.J.BAUMRUCKER,R.C.ANDREWS,S.A.EVANS
Literature Reference Citation J.ORG.CHEM.,47,3980(1982)
Literature Reference DOI 10.1021/jo00141a036
Molecular Weight 172.242 g/mol
Solvent CDCl3
Source File Reference UWCS11272