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METHYL-REL-(3S,4R)-6-HYDROXY-6-METHYL-3-NITRO-4-PHENYLHEPTANOATE
SpectraBase Compound ID KtIzg91A9Ne
InChI InChI=1S/C15H21NO5/c1-15(2,18)10-12(11-7-5-4-6-8-11)13(16(19)20)9-14(17)21-3/h4-8,12-13,18H,9-10H2,1-3H3/t12-,13+/m1/s1
InChIKey IHERGVKAHFWQJD-OLZOCXBDSA-N
Mol Weight 295.34 g/mol
Molecular Formula C15H21NO5
Exact Mass 295.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8VtUlU0Bc10
Name METHYL-REL-(3S,4R)-6-HYDROXY-6-METHYL-3-NITRO-4-PHENYLHEPTANOATE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H21NO5
InChI InChI=1S/C15H21NO5/c1-15(2,18)10-12(11-7-5-4-6-8-11)13(16(19)20)9-14(17)21-3/h4-8,12-13,18H,9-10H2,1-3H3/t12-,13+/m1/s1
InChIKey IHERGVKAHFWQJD-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 295.335 g/mol
Solvent CDCl3
Source File Reference UWLU84632