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(1S,2R,5S)-BENZENECARBOTHIOIC-ACID-S-[4-METHYL-3-OXO-2-[(1R)-PHENYLETHOXY]-8-OXABICYCLO-[3.2.1]-OCT-6-EN-6-YL]-ESTER
SpectraBase Compound ID GmCJa3ZjrdE
InChI InChI=1S/C23H22O4S/c1-14-20(24)22(26-15(2)16-9-5-3-6-10-16)18-13-19(21(14)27-18)28-23(25)17-11-7-4-8-12-17/h3-15,18,21-22H,1-2H3/t14-,15-,18+,21+,22-/m1/s1
InChIKey UBHYJGFTNPPUGK-PLMKMBQPSA-N
Mol Weight 394.49 g/mol
Molecular Formula C23H22O4S
Exact Mass 394.12388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8CgZ4QpH6X0
Name (1S,2R,5S)-BENZENECARBOTHIOIC-ACID-S-[4-METHYL-3-OXO-2-[(1R)-PHENYLETHOXY]-8-OXABICYCLO-[3.2.1]-OCT-6-EN-6-YL]-ESTER
Compound Number 13A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H22O4S
InChI InChI=1S/C23H22O4S/c1-14-20(24)22(26-15(2)16-9-5-3-6-10-16)18-13-19(21(14)27-18)28-23(25)17-11-7-4-8-12-17/h3-15,18,21-22H,1-2H3/t14-,15-,18+,21+,22-/m1/s1
InChIKey UBHYJGFTNPPUGK-PLMKMBQPSA-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 394.485 g/mol
Solvent CDCl3
Source File Reference UWLU33409