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7-Benzyl-1,7-diazatricyclo[8.6.1.0(11.16)]heptadeca-10(17),11,13,15-tetraen-6-one dimer
SpectraBase Compound ID BfqpR6MnSW4
InChI InChI=1S/C44H48N4O2/c49-43-23-11-13-27-46-34-38(40-20-8-10-22-42(40)46)26-30-48(32-36-17-5-2-6-18-36)44(50)24-12-14-28-45-33-37(39-19-7-9-21-41(39)45)25-29-47(43)31-35-15-3-1-4-16-35/h1-10,15-22,33-34H,11-14,23-32H2
InChIKey VSEASRDZVWEMHJ-UHFFFAOYSA-N
Mol Weight 664.9 g/mol
Molecular Formula C44H48N4O2
Exact Mass 664.377727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZL1l28nZll
Name 7-Benzyl-1,7-diazatricyclo[8.6.1.0(11.16)]heptadeca-10(17),11,13,15-tetraen-6-one dimer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H48N4O2
InChI InChI=1S/C44H48N4O2/c49-43-23-11-13-27-46-34-38(40-20-8-10-22-42(40)46)26-30-48(32-36-17-5-2-6-18-36)44(50)24-12-14-28-45-33-37(39-19-7-9-21-41(39)45)25-29-47(43)31-35-15-3-1-4-16-35/h1-10,15-22,33-34H,11-14,23-32H2
InChIKey VSEASRDZVWEMHJ-UHFFFAOYSA-N
Molecular Weight 664.894 g/mol
SMILES c1[n]2CCCCC(N(CCc3c[n](CCCCC(N(CCc1c1c2cccc1)Cc1ccccc1)=O)c1c3cccc1)Cc1ccccc1)=O
SPLASH splash10-001l-4907002000-0268166617adf3c9ae51
Source of Spectrum SO-0-1697-14
Wiley ID 878599