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9-Acetyl-1,4-dibenzyl-7,11-dimethyl-1,4,9-triazacyclotridecane

View entire compound with spectra: 1 MS (GC)

9-Acetyl-1,4-dibenzyl-7,11-dimethyl-1,4,9-triazacyclotridecane
SpectraBase Compound ID 4A22PwCNc5w
InChI InChI=1S/C28H41N3O/c1-24-14-16-29(22-27-10-6-4-7-11-27)18-19-30(23-28-12-8-5-9-13-28)17-15-25(2)21-31(20-24)26(3)32/h4-13,24-25H,14-23H2,1-3H3
InChIKey QKVIBDWEZDSCSW-UHFFFAOYSA-N
Mol Weight 435.7 g/mol
Molecular Formula C28H41N3O
Exact Mass 435.324963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WsJYaEaCns
Name 9-Acetyl-1,4-dibenzyl-7,11-dimethyl-1,4,9-triazacyclotridecane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H41N3O
InChI InChI=1S/C28H41N3O/c1-24-14-16-29(22-27-10-6-4-7-11-27)18-19-30(23-28-12-8-5-9-13-28)17-15-25(2)21-31(20-24)26(3)32/h4-13,24-25H,14-23H2,1-3H3
InChIKey QKVIBDWEZDSCSW-UHFFFAOYSA-N
Molecular Weight 435.656 g/mol
SMILES C(N1CC(CCN(Cc2ccccc2)CCN(CCC(C1)C)Cc1ccccc1)C)(=O)C
SPLASH splash10-0006-6029000000-9778bcfc4af20054a7db
Source of Spectrum K1-2000-2371-11
Wiley ID 814786