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METHYL-7-(3-PHENYLTHIOBICYClO-[2.2.1]-HEPT-2-YL)-7-OXOHEPTANOATE
SpectraBase Compound ID 8sSLAnTD3t1
InChI InChI=1S/C21H28O3S/c1-24-19(23)11-7-3-6-10-18(22)20-15-12-13-16(14-15)21(20)25-17-8-4-2-5-9-17/h2,4-5,8-9,15-16,20-21H,3,6-7,10-14H2,1H3/t15-,16+,20+,21-/m0/s1
InChIKey SFLKWCIYOIMJED-HDIOYNLWSA-N
Mol Weight 360.51 g/mol
Molecular Formula C21H28O3S
Exact Mass 360.175916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJK77H6IZu9
Name METHYL-7-(3-PHENYLTHIOBICYClO-[2.2.1]-HEPT-2-YL)-7-OXOHEPTANOATE
Compound Number XX
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O3S
InChI InChI=1S/C21H28O3S/c1-24-19(23)11-7-3-6-10-18(22)20-15-12-13-16(14-15)21(20)25-17-8-4-2-5-9-17/h2,4-5,8-9,15-16,20-21H,3,6-7,10-14H2,1H3/t15-,16+,20+,21-/m0/s1
InChIKey SFLKWCIYOIMJED-HDIOYNLWSA-N
Literature Reference Author N.F.BONDAR,L.P.ISAENYA,R.V.SKUPSKAYA,F.A.LAKHVICH
Literature Reference Citation RUSS.J.ORG.CHEM.,38,1749(2002)
Literature Reference DOI 10.1023/A:1022559428435
Molecular Weight 360.512 g/mol
Solvent CDCl3
Source File Reference UWMZ9808