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EXO-3-(2'-NITROPHENYLTHIO)-TRICYCLO-[2.2.1.0(2,6)]-HEPTANE-5-ONE
SpectraBase Compound ID CVmWfWNfJ3o
InChI InChI=1S/C13H11NO3S/c15-12-7-5-6-10(12)11(6)13(7)18-9-4-2-1-3-8(9)14(16)17/h1-4,6-7,10-11,13H,5H2/t6-,7+,10+,11-,13+/m0/s1
InChIKey ZVBXUKPYAPRLLA-UTEOQSPHSA-N
Mol Weight 261.29 g/mol
Molecular Formula C13H11NO3S
Exact Mass 261.045964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID kwC6nP3zZ7
Name EXO-3-(2'-NITROPHENYLTHIO)-TRICYCLO-[2.2.1.0(2,6)]-HEPTANE-5-ONE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11NO3S
InChI InChI=1S/C13H11NO3S/c15-12-7-5-6-10(12)11(6)13(7)18-9-4-2-1-3-8(9)14(16)17/h1-4,6-7,10-11,13H,5H2/t6-,7+,10+,11-,13+/m0/s1
InChIKey ZVBXUKPYAPRLLA-UTEOQSPHSA-N
Literature Reference Author D.G.GARRATT,M.PRZYBYLSKA,M.CYGLER
Literature Reference Citation CAN.J.CHEM.,61,1176(1983)
Literature Reference DOI 10.1139/v83-210
Molecular Weight 261.295 g/mol
Solvent CDCl3
Source File Reference UWED3462