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3,7-bis(2-chloroethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one
SpectraBase Compound ID 45ymMYUFrO2
InChI InChI=1S/C23H26Cl2N2O/c24-11-13-26-15-22(19-7-3-1-4-8-19)16-27(14-12-25)18-23(17-26,21(22)28)20-9-5-2-6-10-20/h1-10H,11-18H2/t22-,23+
InChIKey NGKJOKBTWZMLGQ-ZRZAMGCNSA-N
Mol Weight 417.38 g/mol
Molecular Formula C23H26Cl2N2O
Exact Mass 416.142219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XI1sI1uFJ6
Name 3,7-bis(2-chloroethyl)-1,5-diphenyl-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 C23H26Cl2N2O
InChI InChI=1S/C23H26Cl2N2O/c24-11-13-26-15-22(19-7-3-1-4-8-19)16-27(14-12-25)18-23(17-26,21(22)28)20-9-5-2-6-10-20/h1-10H,11-18H2/t22-,23+
InChIKey NGKJOKBTWZMLGQ-ZRZAMGCNSA-N
Molecular Weight 417.380 g/mol
SMILES [C@]12(C([C@@](c3ccccc3)(CN(C1)CCCl)CN(C2)CCCl)=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-eab6c93fd49f855c8704
Source of Spectrum F-51-2073-28
Wiley ID 791074