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Methyl-(2sr, 7RS)-2-(2',4'-dinitrophenylthio)-4-oxa-5-oxotricyclo-[4.4.0.0(3,8)]-decan-7-carboxylate
SpectraBase Compound ID 7N9pbtW8n2o
InChI InChI=1S/C17H16N2O8S/c1-26-16(20)12-8-3-4-9-13(12)17(21)27-14(8)15(9)28-11-5-2-7(18(22)23)6-10(11)19(24)25/h2,5-6,8-9,12-15H,3-4H2,1H3/t8-,9+,12-,13+,14+,15+/m1/s1
InChIKey LPJAVLGZFWEWAB-NPCMXVFTSA-N
Mol Weight 408.38 g/mol
Molecular Formula C17H16N2O8S
Exact Mass 408.062737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 41ruHLSASNx
Name METHYL-(2SR,7RS)-2-(2',4'-DINITROPHENYLTHIO)-4-OXA-5-OXOTRICYCLO-[4.4.0.0(3,8)]-DECAN-7-CARBOXYLATE
CAS Registry Number 72453-31-7
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16N2O8S
InChI InChI=1S/C17H16N2O8S/c1-26-16(20)12-8-3-4-9-13(12)17(21)27-14(8)15(9)28-11-5-2-7(18(22)23)6-10(11)19(24)25/h2,5-6,8-9,12-15H,3-4H2,1H3/t8-,9+,12-,13+,14+,15+/m1/s1
InChIKey LPJAVLGZFWEWAB-NPCMXVFTSA-N
Literature Reference Author D.G.GARRATT,M.D.RYAN,P.L.BEAULIEU
Literature Reference Citation J.ORG.CHEM.,45,839(1980)
Literature Reference DOI 10.1021/jo01293a016
Molecular Weight 408.383 g/mol
Solvent CDCl3
Source File Reference UNIW17758