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METHYL-REL-(3S,4R)-4-[(1S,2S)-2-HYDROXYCYCLOHEXYL]-3-NITRO-4-PHENYLBUTANOATE
SpectraBase Compound ID KrgvQh6Qsvp
InChI InChI=1S/C17H23NO5/c1-23-16(20)11-14(18(21)22)17(12-7-3-2-4-8-12)13-9-5-6-10-15(13)19/h2-4,7-8,13-15,17,19H,5-6,9-11H2,1H3/t13-,14+,15+,17+/m1/s1
InChIKey PZFNYFUUGRLJLO-AESZEHBQSA-N
Mol Weight 321.37 g/mol
Molecular Formula C17H23NO5
Exact Mass 321.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ErJKVsh9om
Name METHYL-REL-(3S,4R)-4-[(1S,2S)-2-HYDROXYCYCLOHEXYL]-3-NITRO-4-PHENYLBUTANOATE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H23NO5
InChI InChI=1S/C17H23NO5/c1-23-16(20)11-14(18(21)22)17(12-7-3-2-4-8-12)13-9-5-6-10-15(13)19/h2-4,7-8,13-15,17,19H,5-6,9-11H2,1H3/t13-,14+,15+,17+/m1/s1
InChIKey PZFNYFUUGRLJLO-AESZEHBQSA-N
Literature Reference Author A.S.NAUMOVA,A.A.MIKHAYLOV,M.I.STRUCHKOVA,Y.A.KHOMUTOVA,V.A.T ARTAKOVSKY,S.L.IOFFE
Literature Reference Citation EUR.J.ORG.CHEM.,2012,2219(2012)
Literature Reference DOI 10.1002/ejoc.201101768
Molecular Weight 321.373 g/mol
Solvent CDCl3
Source File Reference UWLU84633