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(2S*,2'S*)-2-[2-(BUTYLTHIO)-1-METHYLETHYL]-2,3-DIHYDRO-4H-PYRAN-4-ONE
SpectraBase Compound ID FbpYwnHkym1
InChI InChI=1S/C12H20O2S/c1-3-4-7-15-9-10(2)12-8-11(13)5-6-14-12/h5-6,10,12H,3-4,7-9H2,1-2H3/t10-,12-/m1/s1
InChIKey WUGMWYUSESXJFZ-ZYHUDNBSSA-N
Mol Weight 228.35 g/mol
Molecular Formula C12H20O2S
Exact Mass 228.118401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQ7NEnmjF1c
Name (2S*,2'S*)-2-[2-(BUTYLTHIO)-1-METHYLETHYL]-2,3-DIHYDRO-4H-PYRAN-4-ONE
CAS Registry Number 140928-80-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20O2S
InChI InChI=1S/C12H20O2S/c1-3-4-7-15-9-10(2)12-8-11(13)5-6-14-12/h5-6,10,12H,3-4,7-9H2,1-2H3/t10-,12-/m1/s1
InChIKey WUGMWYUSESXJFZ-ZYHUDNBSSA-N
Literature Reference Author R.ANNUNZIATA,M.CINQUINI,F.COZZI,P.G.COZZI,L.RAIMONDI
Literature Reference Citation J.ORG.CHEM.,57,3605(1992)
Literature Reference DOI 10.1021/jo00039a019
Molecular Weight 228.350 g/mol
Solvent CDCl3
Source File Reference UWCS717