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3-Nitro-2-(piperazin-1-yl)benzoic acid
SpectraBase Compound ID 335EhFWIyf4
InChI InChI=1S/C11H13N3O4/c15-11(16)8-2-1-3-9(14(17)18)10(8)13-6-4-12-5-7-13/h1-3,12H,4-7H2,(H,15,16)
InChIKey BFBIXTPJJSLRIX-UHFFFAOYSA-N
Mol Weight 251.24 g/mol
Molecular Formula C11H13N3O4
Exact Mass 251.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QNsl9nAxha
Name 3-Nitro-2-(piperazin-1-yl)benzoic acid
Alternate Name(s) 3-Nitro-2-(1-piperazinyl)benzoic acid 3-Nitro-2-piperazin-1-ylbenzoic acid 3-Nitro-2-piperazin-1-yl-benzoic acid
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Formula C11H13N3O4
InChI InChI=1S/C11H13N3O4/c15-11(16)8-2-1-3-9(14(17)18)10(8)13-6-4-12-5-7-13/h1-3,12H,4-7H2,(H,15,16)
InChIKey BFBIXTPJJSLRIX-UHFFFAOYSA-N
Molecular Weight 251.242 g/mol
SMILES OC(c1cccc(c1N1CCNCC1)N(=O)=O)=O
SPLASH splash10-052f-9300000000-9373d93d8c93bbc307b0
Source of Spectrum IY-2-5129-9
Wiley ID 1659282