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8-Benzyl-1,8-diazatricyclo[9.6.1.0(12.17)]octadeca-11(18),12,14,16-tetraen-7-one dimer
SpectraBase Compound ID 1BUEjFVquL0
InChI InChI=1S/C46H52N4O2/c51-45-25-9-3-15-29-48-36-40(42-22-12-14-24-44(42)48)28-32-50(34-38-19-7-2-8-20-38)46(52)26-10-4-16-30-47-35-39(41-21-11-13-23-43(41)47)27-31-49(45)33-37-17-5-1-6-18-37/h1-2,5-8,11-14,17-24,35-36H,3-4,9-10,15-16,25-34H2
InChIKey GSYVNYPZOONFRN-UHFFFAOYSA-N
Mol Weight 692.9 g/mol
Molecular Formula C46H52N4O2
Exact Mass 692.409027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15T9fsb2Bt0
Name 8-Benzyl-1,8-diazatricyclo[9.6.1.0(12.17)]octadeca-11(18),12,14,16-tetraen-7-one dimer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H52N4O2
InChI InChI=1S/C46H52N4O2/c51-45-25-9-3-15-29-48-36-40(42-22-12-14-24-44(42)48)28-32-50(34-38-19-7-2-8-20-38)46(52)26-10-4-16-30-47-35-39(41-21-11-13-23-43(41)47)27-31-49(45)33-37-17-5-1-6-18-37/h1-2,5-8,11-14,17-24,35-36H,3-4,9-10,15-16,25-34H2
InChIKey GSYVNYPZOONFRN-UHFFFAOYSA-N
Molecular Weight 692.948 g/mol
SMILES c1[n]2CCCCCC(N(CCc3c[n](CCCCCC(N(CCc1c1c2cccc1)Cc1ccccc1)=O)c1c3cccc1)Cc1ccccc1)=O
SPLASH splash10-0005-1903000000-0f481a718c9586f44f41
Source of Spectrum SO-0-1697-14
Wiley ID 878598