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3(R)-(4-hydroxycarbonyl-2-nitrophenoxy)butanoic acid
SpectraBase Compound ID 5JkNKbZMqar
InChI InChI=1S/C11H11NO7/c1-6(4-10(13)14)19-9-3-2-7(11(15)16)5-8(9)12(17)18/h2-3,5-6H,4H2,1H3,(H,13,14)(H,15,16)/t6-/m1/s1
InChIKey NJCQYPLXXZLEMB-ZCFIWIBFSA-N
Mol Weight 269.21 g/mol
Molecular Formula C11H11NO7
Exact Mass 269.053552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnZ2pKKaFYL
Name 3(R)-(4-hydroxycarbonyl-2-nitrophenoxy)butanoic acid
Alternate Name(s) 4-{[(1R)-2-carboxy-1-methylethyl]oxy}-3-nitrobenzoic acid
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Formula C11H11NO7
InChI InChI=1S/C11H11NO7/c1-6(4-10(13)14)19-9-3-2-7(11(15)16)5-8(9)12(17)18/h2-3,5-6H,4H2,1H3,(H,13,14)(H,15,16)/t6-/m1/s1
InChIKey NJCQYPLXXZLEMB-ZCFIWIBFSA-N
Molecular Weight 269.209 g/mol
SMILES OC(c1cc(c(O[C@@](CC(=O)O)(C)[H])cc1)N(=O)=O)=O
SPLASH splash10-00l6-9600000000-84a80cdc094d92d434c1
Source of Spectrum AH-123-924-0
Wiley ID 1272984