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METHYL-REL-(3S,4R)-3-NITRO-6-OXO-4-PHENYLHEPTANOATE
SpectraBase Compound ID EmHdTP0B87h
InChI InChI=1S/C14H17NO5/c1-10(16)8-12(11-6-4-3-5-7-11)13(15(18)19)9-14(17)20-2/h3-7,12-13H,8-9H2,1-2H3/t12-,13+/m1/s1
InChIKey XEKQIRDKAMUQSW-OLZOCXBDSA-N
Mol Weight 279.29 g/mol
Molecular Formula C14H17NO5
Exact Mass 279.110673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5sFlmgmjGa
Name METHYL-REL-(3S,4R)-3-NITRO-6-OXO-4-PHENYLHEPTANOATE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H17NO5
InChI InChI=1S/C14H17NO5/c1-10(16)8-12(11-6-4-3-5-7-11)13(15(18)19)9-14(17)20-2/h3-7,12-13H,8-9H2,1-2H3/t12-,13+/m1/s1
InChIKey XEKQIRDKAMUQSW-OLZOCXBDSA-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 279.293 g/mol
Solvent CDCl3
Source File Reference UWLU84636