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BENZENECARBOTHIOIC-ACID-S-[(1S,2R,5S)-3-OXO-2-[(1R)-PHENYLETHOXY]-8-OXABICYCLO-[3.2.1]-OCT-6-EN-6-YL]-ESTER
SpectraBase Compound ID DjaonkA0KY2
InChI InChI=1S/C22H20O4S/c1-14(15-8-4-2-5-9-15)25-21-17(23)12-18-20(13-19(21)26-18)27-22(24)16-10-6-3-7-11-16/h2-11,13-14,18-19,21H,12H2,1H3/t14-,18+,19+,21+/m1/s1
InChIKey RCFGYVUJDRUBKU-MMCAFHBRSA-N
Mol Weight 380.46 g/mol
Molecular Formula C22H20O4S
Exact Mass 380.10823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3L0RFLmI3FX
Name BENZENECARBOTHIOIC-ACID-S-[(1S,2R,5S)-3-OXO-2-[(1R)-PHENYLETHOXY]-8-OXABICYCLO-[3.2.1]-OCT-6-EN-6-YL]-ESTER
Compound Number 11A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20O4S
InChI InChI=1S/C22H20O4S/c1-14(15-8-4-2-5-9-15)25-21-17(23)12-18-20(13-19(21)26-18)27-22(24)16-10-6-3-7-11-16/h2-11,13-14,18-19,21H,12H2,1H3/t14-,18+,19+,21+/m1/s1
InChIKey RCFGYVUJDRUBKU-MMCAFHBRSA-N
Literature Reference Author H.BECK,C.B.W.STARK,H.M.R.HOFFMANN
Literature Reference Citation ORG.LETTERS,2,883(2000)
Literature Reference DOI 10.1021/ol991386p
Molecular Weight 380.458 g/mol
Solvent CDCl3
Source File Reference UWLU33407