3,7-Dibenzyl-1,5-bis(phenylthio)-3,7-diazabicyclo[3.3.1]nonan-9-one

SpectraBase Compound ID	8yChHsI4lBk
InChI	InChI=1S/C33H32N2OS2/c36-31-32(37-29-17-9-3-10-18-29)23-34(21-27-13-5-1-6-14-27)24-33(31,38-30-19-11-4-12-20-30)26-35(25-32)22-28-15-7-2-8-16-28/h1-20H,21-26H2/t32-,33+
InChIKey	FTFBXSUEMLNYMY-CZFRINIUSA-N Google Search
Mol Weight	536.8 g/mol
Molecular Formula	C33H32N2OS2
Exact Mass	536.195606 g/mol

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SpectraBase Spectrum ID	BGaf4mHNwTy
Name	3,7-Dibenzyl-1,5-bis(phenylthio)-3,7-diazabicyclo[3.3.1]nonan-9-one
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C33H32N2OS2
InChI	InChI=1S/C33H32N2OS2/c36-31-32(37-29-17-9-3-10-18-29)23-34(21-27-13-5-1-6-14-27)24-33(31,38-30-19-11-4-12-20-30)26-35(25-32)22-28-15-7-2-8-16-28/h1-20H,21-26H2/t32-,33+
InChIKey	FTFBXSUEMLNYMY-CZFRINIUSA-N
Molecular Weight	536.752 g/mol
SMILES	[C@]12(C([C@@](Sc3ccccc3)(CN(C1)Cc1ccccc1)CN(C2)Cc1ccccc1)=O)Sc1ccccc1
SPLASH	splash10-0006-9000000000-74a96d98b0d87847e891
Source of Spectrum	F-51-2068-12
Synonyms	3,7-dibenzyl-1,5-bis(phenylsulfanyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
Wiley ID	791086