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(S)-METHYL-2-[4-SULFOOXYCYCLOHEX-1-EN-1-YL]-ACETATE
SpectraBase Compound ID FiF3lE8bBUC
InChI InChI=1S/C9H14O6S/c1-14-9(10)6-7-2-4-8(5-3-7)15-16(11,12)13/h2,8H,3-6H2,1H3,(H,11,12,13)/t8-/m1/s1
InChIKey PGBQJCUPORAUKR-MRVPVSSYSA-N
Mol Weight 250.26 g/mol
Molecular Formula C9H14O6S
Exact Mass 250.051109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7nZD8ue9YAe
Name (S)-METHYL-2-[4-SULFOOXYCYCLOHEX-1-EN-1-YL]-ACETATE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H14O6S
InChI InChI=1S/C9H14O6S/c1-14-9(10)6-7-2-4-8(5-3-7)15-16(11,12)13/h2,8H,3-6H2,1H3,(H,11,12,13)/t8-/m1/s1
InChIKey PGBQJCUPORAUKR-MRVPVSSYSA-N
Literature Reference Author Y.YAMASHITA-HIGUCHI,S.SUGIMOTO,K.MATSUNAMI,M.INAGAKI,H.OTSUK A,Y.TAKEDA
Literature Reference Citation CHEM.PHARM.BULL.,63,49(2015)
Literature Reference DOI 10.1248/cpb.c14-00638
Molecular Weight 250.267 g/mol
Solvent CD3OD
Source File Reference UWPA10018