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1-(2,6-dinitrophenyl)-2-piperidinecarboxylic acid
SpectraBase Compound ID FBuARjycGCB
InChI InChI=1S/C12H13N3O6/c16-12(17)10-4-1-2-7-13(10)11-8(14(18)19)5-3-6-9(11)15(20)21/h3,5-6,10H,1-2,4,7H2,(H,16,17)
InChIKey HRVBRJSQGKYONF-UHFFFAOYSA-N
Mol Weight 295.25 g/mol
Molecular Formula C12H13N3O6
Exact Mass 295.080435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FpzjZ8RPQGm
Name 1-(2,6-dinitrophenyl)-2-piperidinecarboxylic acid
Alternate Name(s) 1-(2,6-dinitrophenyl)pipecolinic acid 1-(2,6-dinitrophenyl)piperidine-2-carboxylic acid
CAS Registry Number 84831-73-2
Comments Less than 3 mono-isotopic peaks
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Formula C12H13N3O6
InChI InChI=1S/C12H13N3O6/c16-12(17)10-4-1-2-7-13(10)11-8(14(18)19)5-3-6-9(11)15(20)21/h3,5-6,10H,1-2,4,7H2,(H,16,17)
InChIKey HRVBRJSQGKYONF-UHFFFAOYSA-N
Molecular Weight 295.251 g/mol
SMILES OC(C1N(c2c(N(=O)=O)cccc2N(=O)=O)CCCC1)=O
SPLASH splash10-000i-0090000000-87556da841e0e8ecf5f6
Source of Spectrum Y-19-1171-0
Wiley ID 1297973