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1-(2,4-Dinitrophenyl)-2-piperidinecarboxylic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(2,4-Dinitrophenyl)-2-piperidinecarboxylic acid methyl ester
SpectraBase Compound ID 4ocwRHrnO2e
InChI InChI=1S/C13H15N3O6/c1-22-13(17)11-4-2-3-7-14(11)10-6-5-9(15(18)19)8-12(10)16(20)21/h5-6,8,11H,2-4,7H2,1H3
InChIKey QJDOAOLRBYLTST-UHFFFAOYSA-N
Mol Weight 309.28 g/mol
Molecular Formula C13H15N3O6
Exact Mass 309.096085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AWSQ2UoJSHx
Name 1-(2,4-Dinitrophenyl)-2-piperidinecarboxylic acid methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 309.096085209 u
Formula C13H15N3O6
InChI InChI=1S/C13H15N3O6/c1-22-13(17)11-4-2-3-7-14(11)10-6-5-9(15(18)19)8-12(10)16(20)21/h5-6,8,11H,2-4,7H2,1H3
InChIKey QJDOAOLRBYLTST-UHFFFAOYSA-N
Molecular Weight 309.278 g/mol
SMILES C=1(N(=O)=O)C(N2C(C(=O)OC)CCCC2)=CC=C(N(=O)=O)C1