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N-Heptane-1,7-di-aminocarboxylic acid, dibenzyl(ester)

View entire compound with spectra: 1 NMR

N-Heptane-1,7-di-aminocarboxylic acid, dibenzyl(ester)
SpectraBase Compound ID 36C1xi2cIpF
InChI InChI=1S/C23H30N2O4/c26-22(28-18-20-12-6-4-7-13-20)24-16-10-2-1-3-11-17-25-23(27)29-19-21-14-8-5-9-15-21/h4-9,12-15H,1-3,10-11,16-19H2,(H,24,26)(H,25,27)
InChIKey GXGSSQSAAKHGMU-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C23H30N2O4
Exact Mass 398.220557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B02ArTVwcGl
Name N-Heptane-1,7-di-aminocarboxylic acid, dibenzyl(ester)
Comments Computed using HOSE algorithm
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Exact Mass 398.220557450 u
Formula C23H30N2O4
InChI InChI=1S/C23H30N2O4/c26-22(28-18-20-12-6-4-7-13-20)24-16-10-2-1-3-11-17-25-23(27)29-19-21-14-8-5-9-15-21/h4-9,12-15H,1-3,10-11,16-19H2,(H,24,26)(H,25,27)
InChIKey GXGSSQSAAKHGMU-UHFFFAOYSA-N
Molecular Weight 398.503 g/mol
SMILES C1=C(C=CC=C1)COC(=O)NCCCCCCCNC(=O)OCC1=CC=CC=C1