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13,17,21,25,29-Pentaacetyl-13,17,21,25,29-pentaaza-32-dotriacontanolactam

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

13,17,21,25,29-Pentaacetyl-13,17,21,25,29-pentaaza-32-dotriacontanolactam
SpectraBase Compound ID ENFfGhvqxIB
InChI InChI=1S/C37H68N6O6/c1-32(44)39-22-14-12-10-8-6-7-9-11-13-20-37(49)38-21-15-23-40(33(2)45)25-17-27-42(35(4)47)29-19-31-43(36(5)48)30-18-28-41(34(3)46)26-16-24-39/h6-31H2,1-5H3,(H,38,49)
InChIKey PUKNHHKKDGQHPH-UHFFFAOYSA-N
Mol Weight 693.0 g/mol
Molecular Formula C37H68N6O6
Exact Mass 692.520034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4MjLuatjgxP
Name 13,17,21,25,29-Pentaacetyl-13,17,21,25,29-pentaaza-32-dotriacontanolactam
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 692.520033928 u
Formula C37H68N6O6
InChI InChI=1S/C37H68N6O6/c1-32(44)39-22-14-12-10-8-6-7-9-11-13-20-37(49)38-21-15-23-40(33(2)45)25-17-27-42(35(4)47)29-19-31-43(36(5)48)30-18-28-41(34(3)46)26-16-24-39/h6-31H2,1-5H3,(H,38,49)
InChIKey PUKNHHKKDGQHPH-UHFFFAOYSA-N
Molecular Weight 692.987 g/mol
SMILES C1CCCCCCCCCCC(NCCCN(CCCN(CCCN(CCCN(CCCN1C(C)=O)C(C)=O)C(C)=O)C(C)=O)C(C)=O)=O