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2-(4,16-Dimethyl-3,17-dioxo-1,19-dioxa-4,16-diaza-cyclodocos-21-yloxy)-N-heptyl-N-methyl-acetamide
SpectraBase Compound ID J609ZzBuqel
InChI InChI=1S/C33H65N3O6/c1-7-10-13-16-19-22-34(4)31(37)27-40-25-30(42-29-33(39)36(6)24-21-18-15-12-9-3)26-41-28-32(38)35(5)23-20-17-14-11-8-2/h30H,7-29H2,1-6H3
InChIKey KNWQTSVTSUILBG-UHFFFAOYSA-N
Mol Weight 599.9 g/mol
Molecular Formula C33H65N3O6
Exact Mass 599.487337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4KTBSBn5Ntb
Name 2-(4,16-Dimethyl-3,17-dioxo-1,19-dioxa-4,16-diaza-cyclodocos-21-yloxy)-N-heptyl-N-methylacetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 599.487336819 u
Formula C33H65N3O6
InChI InChI=1S/C33H65N3O6/c1-7-10-13-16-19-22-34(4)31(37)27-40-25-30(42-29-33(39)36(6)24-21-18-15-12-9-3)26-41-28-32(38)35(5)23-20-17-14-11-8-2/h30H,7-29H2,1-6H3
InChIKey KNWQTSVTSUILBG-UHFFFAOYSA-N
Molecular Weight 599.898 g/mol
SMILES CN(CCCCCCC)C(=O)COCC(OCC(=O)N(C)CCCCCCC)COCC(=O)N(CCCCCCC)C