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4-(3,4,5-Trimethoxybenzoyl)-1-piperazinecarboxylic acid, benzyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

4-(3,4,5-Trimethoxybenzoyl)-1-piperazinecarboxylic acid, benzyl ester
SpectraBase Compound ID GNkxDfQSvqy
InChI InChI=1S/C22H26N2O6/c1-27-18-13-17(14-19(28-2)20(18)29-3)21(25)23-9-11-24(12-10-23)22(26)30-15-16-7-5-4-6-8-16/h4-8,13-14H,9-12,15H2,1-3H3
InChIKey RCAOEBZUHHFABW-UHFFFAOYSA-N
Mol Weight 414.46 g/mol
Molecular Formula C22H26N2O6
Exact Mass 414.179087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5PBNzAPSod0
Name 4-(3,4,5-Trimethoxybenzoyl)-1-piperazinecarboxylic acid, benzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 414.179086559 u
Formula C22H26N2O6
InChI InChI=1S/C22H26N2O6/c1-27-18-13-17(14-19(28-2)20(18)29-3)21(25)23-9-11-24(12-10-23)22(26)30-15-16-7-5-4-6-8-16/h4-8,13-14H,9-12,15H2,1-3H3
InChIKey RCAOEBZUHHFABW-UHFFFAOYSA-N
Molecular Weight 414.458 g/mol
SMILES C=1(C(=C(C=C(C1)C(=O)N1CCN(CC1)C(=O)OCC=1C=CC=CC1)OC)OC)OC