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XGMBOIALVGDSHT-SREVYHEPSA-N
SpectraBase Compound ID 7B8xqCLq04f
InChI InChI=1S/C8H12O2S/c1-2-3-7(11)6-4-5-10-8(6)9/h11H,2-5H2,1H3/b7-6-
InChIKey XGMBOIALVGDSHT-SREVYHEPSA-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 3DTmwBj3gsW
Name XGMBOIALVGDSHT-SREVYHEPSA-N
Compound Number 31-(S-D)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12O2S
InChI InChI=1S/C8H12O2S/c1-2-3-7(11)6-4-5-10-8(6)9/h11H,2-5H2,1H3/b7-6-
InChIKey XGMBOIALVGDSHT-SREVYHEPSA-N
Literature Reference Author P.E.HANSEN,S.BOLVIG,F.DUUS,M.V.PETROVA,R.KAWECKI,R.KRAJEWSKI ,L.KOZERSKI
Literature Reference Citation MAGN.RES.CHEM.,33,621(1995)
Literature Reference DOI 10.1002/mrc.1260330803
Molecular Weight 172.242 g/mol
Solvent CDCl3
Source File Reference UWMZ6148