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Terephthalic acid, piperidide, ethyl ester
SpectraBase Compound ID JXqLGStNiVQ
InChI InChI=1S/C15H19NO3/c1-2-19-15(18)13-8-6-12(7-9-13)14(17)16-10-4-3-5-11-16/h6-9H,2-5,10-11H2,1H3
InChIKey YHPJHIAJQDBLCL-UHFFFAOYSA-N
Mol Weight 261.32 g/mol
Molecular Formula C15H19NO3
Exact Mass 261.136493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LPKXLYPi3wb
Name Terephthalic acid, piperidide, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 261.136493473 u
Formula C15H19NO3
InChI InChI=1S/C15H19NO3/c1-2-19-15(18)13-8-6-12(7-9-13)14(17)16-10-4-3-5-11-16/h6-9H,2-5,10-11H2,1H3
InChIKey YHPJHIAJQDBLCL-UHFFFAOYSA-N
Molecular Weight 261.321 g/mol
SMILES C1CCCCN1C(=O)C1=CC=C(C(OCC)=O)C=C1