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METHYL-REL-(3S,4R)-6-HYDROXY-3,6-DIMETHYL-3-NITRO-4-PHENYLHEPTANOATE
SpectraBase Compound ID BWr9te2rN63
InChI InChI=1S/C16H23NO5/c1-15(2,19)10-13(12-8-6-5-7-9-12)16(3,17(20)21)11-14(18)22-4/h5-9,13,19H,10-11H2,1-4H3/t13-,16+/m1/s1
InChIKey OQDHGJNFTLMWRS-CJNGLKHVSA-N
Mol Weight 309.36 g/mol
Molecular Formula C16H23NO5
Exact Mass 309.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IW2wnT6I7U
Name METHYL-REL-(3S,4R)-6-HYDROXY-3,6-DIMETHYL-3-NITRO-4-PHENYLHEPTANOATE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H23NO5
InChI InChI=1S/C16H23NO5/c1-15(2,19)10-13(12-8-6-5-7-9-12)16(3,17(20)21)11-14(18)22-4/h5-9,13,19H,10-11H2,1-4H3/t13-,16+/m1/s1
InChIKey OQDHGJNFTLMWRS-CJNGLKHVSA-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 309.362 g/mol
Solvent CDCl3
Source File Reference UWLU84634