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(1R,2S,5R)-BENZENECARBOTHIOIC-ACID-S-[2-[(1R)-NAPHTH-2-YL-ETHOXY]-3-OXO-8-OXABICYCLO-[3.2.1]-OCT-6-EN-6-YL]-ESTER
SpectraBase Compound ID 33VSVQJgSg9
InChI InChI=1S/C26H22O4S/c1-16(19-12-11-17-7-5-6-10-20(17)13-19)29-25-21(27)14-22-24(15-23(25)30-22)31-26(28)18-8-3-2-4-9-18/h2-13,15-16,22-23,25H,14H2,1H3/t16-,22-,23-,25-/m1/s1
InChIKey IHYWKWXQNSUXOZ-KHRGITBJSA-N
Mol Weight 430.52 g/mol
Molecular Formula C26H22O4S
Exact Mass 430.12388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GFK6WV1rE3A
Name (1R,2S,5R)-BENZENECARBOTHIOIC-ACID-S-[2-[(1R)-NAPHTH-2-YL-ETHOXY]-3-OXO-8-OXABICYCLO-[3.2.1]-OCT-6-EN-6-YL]-ESTER
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H22O4S
InChI InChI=1S/C26H22O4S/c1-16(19-12-11-17-7-5-6-10-20(17)13-19)29-25-21(27)14-22-24(15-23(25)30-22)31-26(28)18-8-3-2-4-9-18/h2-13,15-16,22-23,25H,14H2,1H3/t16-,22-,23-,25-/m1/s1
InChIKey IHYWKWXQNSUXOZ-KHRGITBJSA-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 430.518 g/mol
Solvent CDCl3
Source File Reference UWLU33418