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1-(3,13-dibenzyl-6,10-dimethyl-3,8,13,19-tetrazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-8-yl)ethanone
SpectraBase Compound ID 4xwt5qzmGqd
InChI InChI=1S/C33H44N4O/c1-27-17-19-35(23-30-11-6-4-7-12-30)25-32-15-10-16-33(34-32)26-36(24-31-13-8-5-9-14-31)20-18-28(2)22-37(21-27)29(3)38/h4-16,27-28H,17-26H2,1-3H3
InChIKey QGNWPRNMBHJLIL-UHFFFAOYSA-N
Mol Weight 512.7 g/mol
Molecular Formula C33H44N4O
Exact Mass 512.351512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kuhn1iMwhXK
Name 1-(3,13-dibenzyl-6,10-dimethyl-3,8,13,19-tetrazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-8-yl)ethanone
Alternate Name(s) 1-[6,10-dimethyl-3,13-bis(phenylmethyl)-3,8,13,19-tetrazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-8-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H44N4O
InChI InChI=1S/C33H44N4O/c1-27-17-19-35(23-30-11-6-4-7-12-30)25-32-15-10-16-33(34-32)26-36(24-31-13-8-5-9-14-31)20-18-28(2)22-37(21-27)29(3)38/h4-16,27-28H,17-26H2,1-3H3
InChIKey QGNWPRNMBHJLIL-UHFFFAOYSA-N
Molecular Weight 512.742 g/mol
SMILES c12CN(CCC(CN(CC(CCN(Cc(ccc2)n1)Cc1ccccc1)C)C(=O)C)C)Cc1ccccc1
SPLASH splash10-0a5c-9000000000-ab061e30dfec5726abe5
Source of Spectrum K1-2000-2373-14
Wiley ID 814779