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3,7-bis(2-chlorobenzoyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one
SpectraBase Compound ID Itf7386A5H9
InChI InChI=1S/C27H30Cl2N2O3/c1-3-13-26-15-30(23(32)19-9-5-7-11-21(19)28)17-27(14-4-2,25(26)34)18-31(16-26)24(33)20-10-6-8-12-22(20)29/h5-12H,3-4,13-18H2,1-2H3/t26-,27+
InChIKey YSMNPPWFGJBTSQ-MKPDMIMOSA-N
Mol Weight 501.45 g/mol
Molecular Formula C27H30Cl2N2O3
Exact Mass 500.163348 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16V80pHVgaY
Name 3,7-bis(2-chlorobenzoyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Alternate Name(s) 3,7-bis[(2-chlorophenyl)-oxomethyl]-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one 3,7-bis[(2-chlorophenyl)carbonyl]-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30Cl2N2O3
InChI InChI=1S/C27H30Cl2N2O3/c1-3-13-26-15-30(23(32)19-9-5-7-11-21(19)28)17-27(14-4-2,25(26)34)18-31(16-26)24(33)20-10-6-8-12-22(20)29/h5-12H,3-4,13-18H2,1-2H3/t26-,27+
InChIKey YSMNPPWFGJBTSQ-MKPDMIMOSA-N
Molecular Weight 501.454 g/mol
SMILES [C@]12(C([C@](CCC)(CN(C2)C(c2c(Cl)cccc2)=O)CN(C1)C(c1c(Cl)cccc1)=O)=O)CCC
SPLASH splash10-000i-2902000000-f0e501f97a36c48d0367
Wiley ID 1444281