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9-(META-TOLYLTHIO)-PAEONILACTONE-A
SpectraBase Compound ID 8ZCQ06WYelF
InChI InChI=1S/C17H20O4S/c1-10-4-3-5-11(6-10)22-9-13-12-7-15(18)17(2,20)8-14(12)21-16(13)19/h3-6,12-14,20H,7-9H2,1-2H3/t12-,13-,14-,17+/m1/s1
InChIKey VKSZBTYLCVXGEJ-WBOJAVRRSA-N
Mol Weight 320.4 g/mol
Molecular Formula C17H20O4S
Exact Mass 320.10823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNwkEg2R0lk
Name 9-(META-TOLYLTHIO)-PAEONILACTONE-A
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20O4S
InChI InChI=1S/C17H20O4S/c1-10-4-3-5-11(6-10)22-9-13-12-7-15(18)17(2,20)8-14(12)21-16(13)19/h3-6,12-14,20H,7-9H2,1-2H3/t12-,13-,14-,17+/m1/s1
InChIKey VKSZBTYLCVXGEJ-WBOJAVRRSA-N
Literature Reference Author A.A.ABDEL-HAFEZ,M.R.MESELHY,N.NAKAMURA,M.HATTORI,M.A.EL-GEND Y,N.M.MAHFOUZ,T.A.MO
Literature Reference Citation CHEM.PHARM.BULL.,49,918(2001)
Literature Reference DOI 10.1248/cpb.49.918
Molecular Weight 320.403 g/mol
Solvent CDCl3
Source File Reference UWLU31822