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4-Nitrobenzoic acid (1S,2R)-2-Ethoxycarbonyl-1-methylpropyl ester
SpectraBase Compound ID FNHlgHJXQDm
InChI InChI=1S/C14H17NO6/c1-4-20-13(16)9(2)10(3)21-14(17)11-5-7-12(8-6-11)15(18)19/h5-10H,4H2,1-3H3/t9-,10+/m1/s1
InChIKey KJNRHLLONIWYQT-ZJUUUORDSA-N
Mol Weight 295.29 g/mol
Molecular Formula C14H17NO6
Exact Mass 295.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JxZaCHr9Dz
Name 4-Nitrobenzoic acid (1S,2R)-2-Ethoxycarbonyl-1-methylpropyl ester
Alternate Name(s) 4-Nitrobenzoic acid (1R,2S)-2-Ethoxycarbonyl-1-methylpropyl ester 4-Nitrobenzoic acid[(1S,2R)-3-ethoxy-3-keto-1,2-dimethyl-propyl]ester 4-Nitrobenzoic acid[(2S,3R)-4-ethoxy-3-methyl-4-oxobutan-2-yl]ester [(1S,2R)-3-ethoxy-1,2-dimethyl-3-oxo-propyl]4-nitrobenzoate [(2S,3R)-4-ethoxy-3-methyl-4-oxidanylidene-butan-2-yl]4-nitrobenzoate [(2S,3R)-4-ethoxy-3-methyl-4-oxobutan-2-yl]4-nitrobenzoate 4-Nitrobenzoic acid [(2S,3R)-4-ethoxy-3-methyl-4-oxobutan-2-yl] ester [(2S,3R)-4-ethoxy-3-methyl-4-oxobutan-2-yl] 4-nitrobenzoate [(1S,2R)-3-ethoxy-1,2-dimethyl-3-oxo-propyl] 4-nitrobenzoate [(2S,3R)-4-ethoxy-3-methyl-4-oxidanylidene-butan-2-yl] 4-nitrobenzoate
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Formula C14H17NO6
InChI InChI=1S/C14H17NO6/c1-4-20-13(16)9(2)10(3)21-14(17)11-5-7-12(8-6-11)15(18)19/h5-10H,4H2,1-3H3/t9-,10+/m1/s1
InChIKey KJNRHLLONIWYQT-ZJUUUORDSA-N
Molecular Weight 295.291 g/mol
SMILES c1(N(=O)=O)ccc(C(O[C@]([C@](C(=O)OCC)(C)[H])(C)[H])=O)cc1
SPLASH splash10-0fb9-9610000000-c0b0198ee983ddc0644b
Source of Spectrum F-70-9456-9
Wiley ID 1597832