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Benzenepropanoic acid, .beta.-hydroxy-2,5-dimethoxy-.alpha.-methyl-3-nitro-, methyl ester, [R-(R*,R*)]-
SpectraBase Compound ID K5fbUt10Qo3
InChI InChI=1S/C13H17NO7/c1-7(13(16)21-4)11(15)9-5-8(19-2)6-10(14(17)18)12(9)20-3/h5-7,11,15H,1-4H3/t7-,11-/m1/s1
InChIKey LJRCHKAOMBYOOB-RDDDGLTNSA-N
Mol Weight 299.28 g/mol
Molecular Formula C13H17NO7
Exact Mass 299.100502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyqXmxgQDCD
Name Benzenepropanoic acid, .beta.-hydroxy-2,5-dimethoxy-.alpha.-methyl-3-nitro-, methyl ester, [R-(R*,R*)]-
Alternate Name(s) Methyl (2R,3R)-3-(2,5-dimethoxy-3-nitrophenyl)-3-hydroxy-2-methylpropanoate Methyl 3-(2,5-dimethoxy-3-nitrophenyl)-3-hydroxy-2-methylpropanoate
CAS Registry Number 128836-47-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO7
InChI InChI=1S/C13H17NO7/c1-7(13(16)21-4)11(15)9-5-8(19-2)6-10(14(17)18)12(9)20-3/h5-7,11,15H,1-4H3/t7-,11-/m1/s1
InChIKey LJRCHKAOMBYOOB-RDDDGLTNSA-N
Molecular Weight 299.279 g/mol
SMILES O[C@@](c1c(c(N(=O)=O)cc(c1)OC)OC)([C@](C(=O)OC)(C)[H])[H]
SPLASH splash10-03di-1090000000-d410a3d2846c4da45629
Source of Spectrum KC-1990-56-23
Wiley ID 1301759