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2-Hydroxy-5-nitrophenylbutanoate
SpectraBase Compound ID IGntmGb5iSc
InChI InChI=1S/C10H11NO5/c1-2-3-10(13)16-9-6-7(11(14)15)4-5-8(9)12/h4-6,12H,2-3H2,1H3
InChIKey IVZQNRPVAYGVJK-UHFFFAOYSA-N
Mol Weight 225.2 g/mol
Molecular Formula C10H11NO5
Exact Mass 225.063722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILOZR62vEEg
Name 2-Hydroxy-5-nitrophenylbutanoate
Alternate Name(s) 2-hydroxy-5-nitrophenyl butyrate butanoic acid (2-hydroxy-5-nitrophenyl) ester (2-hydroxy-5-nitrophenyl) butanoate (2-hydroxy-5-nitro-phenyl) butanoate (5-nitro-2-oxidanyl-phenyl) butanoate
Comments Less than 3 mono-isotopic peaks
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Formula C10H11NO5
InChI InChI=1S/C10H11NO5/c1-2-3-10(13)16-9-6-7(11(14)15)4-5-8(9)12/h4-6,12H,2-3H2,1H3
InChIKey IVZQNRPVAYGVJK-UHFFFAOYSA-N
Molecular Weight 225.200 g/mol
SMILES Oc1ccc(N(=O)=O)cc1OC(=O)CCC
SPLASH splash10-004i-0190000000-a2ed435abe5e7d0baca8
Source of Spectrum E2-52-505-11
Wiley ID 1556395