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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
Mol Weight 536.8 g/mol
Molecular Formula C33H32N2OS2
Exact Mass 536.195606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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
Alternate Name(s) 3,7-dibenzyl-1,5-bis(phenylsulfanyl)-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
Wiley ID 791086