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1-(5-Benzamido-1-ethoxycarbonyl-pentyl)-4,7-diethoxycarbonylmethyl-1,4,7-triaza-cyclononane
SpectraBase Compound ID BzfGM6yj04m
InChI InChI=1S/C29H46N4O7/c1-4-38-26(34)22-31-16-17-32(23-27(35)39-5-2)19-21-33(20-18-31)25(29(37)40-6-3)14-10-11-15-30-28(36)24-12-8-7-9-13-24/h7-9,12-13,25H,4-6,10-11,14-23H2,1-3H3,(H,30,36)
InChIKey VPSPUCFLMKFZPQ-UHFFFAOYSA-N
Mol Weight 562.7 g/mol
Molecular Formula C29H46N4O7
Exact Mass 562.33665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eb6IZwpEkWf
Name 1-(5-Benzamido-1-ethoxycarbonyl-pentyl)-4,7-diethoxycarbonylmethyl-1,4,7-triaza-cyclononane
Comments reassigned
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Formula C29H46N4O7
InChI InChI=1S/C29H46N4O7/c1-4-38-26(34)22-31-16-17-32(23-27(35)39-5-2)19-21-33(20-18-31)25(29(37)40-6-3)14-10-11-15-30-28(36)24-12-8-7-9-13-24/h7-9,12-13,25H,4-6,10-11,14-23H2,1-3H3,(H,30,36)
InChIKey VPSPUCFLMKFZPQ-UHFFFAOYSA-N
Instrument Name Bruker AC-250
Literature Reference J.P. Cox, A.S. Craig, I.M.Helps, J. Chem. Soc. Perkin I 2567 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3