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3,11-Dipropyl-7-benzoyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(16),13(17),14-triene
SpectraBase Compound ID DmyafMD30Sm
InChI InChI=1S/C26H38N4O/c1-3-15-28-17-9-19-30(26(31)23-11-6-5-7-12-23)20-10-18-29(16-4-2)22-25-14-8-13-24(21-28)27-25/h5-8,11-14H,3-4,9-10,15-22H2,1-2H3
InChIKey SMHKWHXLSPALPM-UHFFFAOYSA-N
Mol Weight 422.6 g/mol
Molecular Formula C26H38N4O
Exact Mass 422.304562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ld0vklS9Xs1
Name 3,11-Dipropyl-7-benzoyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(16),13(17),14-triene
Alternate Name(s) (3,11-dipropyl-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-yl)-phenylmethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38N4O
InChI InChI=1S/C26H38N4O/c1-3-15-28-17-9-19-30(26(31)23-11-6-5-7-12-23)20-10-18-29(16-4-2)22-25-14-8-13-24(21-28)27-25/h5-8,11-14H,3-4,9-10,15-22H2,1-2H3
InChIKey SMHKWHXLSPALPM-UHFFFAOYSA-N
Molecular Weight 422.617 g/mol
SMILES C(N1CCCN(Cc2cccc(n2)CN(CCC1)CCC)CCC)(=O)c1ccccc1
SPLASH splash10-0a6r-4915100000-6d03290420e3510fef72
Source of Spectrum U1-2009-4280-13
Wiley ID 1697099