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10-Acetyl-5,15-dibenzyl-8,12-dimethyl-1,19-dioxa-5,10,15-triazacyclotricosane

View entire compound with spectra: 2 MS (GC)

10-Acetyl-5,15-dibenzyl-8,12-dimethyl-1,19-dioxa-5,10,15-triazacyclotricosane
SpectraBase Compound ID 6QzK7Bt4PRJ
InChI InChI=1S/C36H57N3O3/c1-32-18-22-37(30-35-14-6-4-7-15-35)20-12-26-41-24-10-11-25-42-27-13-21-38(31-36-16-8-5-9-17-36)23-19-33(2)29-39(28-32)34(3)40/h4-9,14-17,32-33H,10-13,18-31H2,1-3H3
InChIKey VUPQBRWCZPELJX-UHFFFAOYSA-N
Mol Weight 579.9 g/mol
Molecular Formula C36H57N3O3
Exact Mass 579.439993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hWF2TkI4Hp
Name 10-Acetyl-5,15-dibenzyl-8,12-dimethyl-1,19-dioxa-5,10,15-triazacyclotricosane
Alternate Name(s) 1-(5,15-Dibenzyl-8,12-dimethyl-1,19-dioxa-5,10,15-triazacyclotricos-10-yl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H57N3O3
InChI InChI=1S/C36H57N3O3/c1-32-18-22-37(30-35-14-6-4-7-15-35)20-12-26-41-24-10-11-25-42-27-13-21-38(31-36-16-8-5-9-17-36)23-19-33(2)29-39(28-32)34(3)40/h4-9,14-17,32-33H,10-13,18-31H2,1-3H3
InChIKey VUPQBRWCZPELJX-UHFFFAOYSA-N
Molecular Weight 579.870 g/mol
SMILES C(N1CC(CCN(Cc2ccccc2)CCCOCCCCOCCCN(CCC(C1)C)Cc1ccccc1)C)(=O)C
SPLASH splash10-000f-9410310000-27abd3564884f625aec9
Source of Spectrum AT-40-7776-7
Wiley ID 854627