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7,8,16,17,25,26-Hexahydro-6H,15H,24H-tricyclohepta[b,h,n][1,4,7,10,13,16]hexazacyclooctadecine
SpectraBase Compound ID 83qgPltWtfi
InChI InChI=1S/C27H30N6/c1-4-10-22-23(11-5-1)29-17-19-31-25-13-7-3-9-15-27(25)33-21-20-32-26-14-8-2-6-12-24(26)30-18-16-28-22/h1-15,28,31-32H,16-21H2/b29-23-,30-24-,33-27-
InChIKey SPRFDRQTHIXICD-DIGHNCRSSA-N
Mol Weight 438.58 g/mol
Molecular Formula C27H30N6
Exact Mass 438.253195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MW5MWK88Ei
Name 7,8,16,17,25,26-Hexahydro-6H,15H,24H-tricyclohepta[b,h,n][1,4,7,10,13,16]hexazacyclooctadecine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N6
InChI InChI=1S/C27H30N6/c1-4-10-22-23(11-5-1)29-17-19-31-25-13-7-3-9-15-27(25)33-21-20-32-26-14-8-2-6-12-24(26)30-18-16-28-22/h1-15,28,31-32H,16-21H2/b29-23-,30-24-,33-27-
InChIKey SPRFDRQTHIXICD-DIGHNCRSSA-N
Molecular Weight 438.579 g/mol
SMILES N1CC\N=C/2C(=CC=CC=C2)NCC\N=C/2C(NCC\N=C/3C1=CC=CC=C3)=CC=CC=C2
SPLASH splash10-0541-0900200000-df473ef847b66b6368e0
Source of Spectrum H1-39-645-11
Synonyms 7,8,15,16,17,24,25,26-octahydro-6H-tricyclohepta[b,h,n][1,4,7,10,13,16]hexaazacyclooctadecine
Wiley ID 756755