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2-Azabicyclo[3.3.1]nonan-7-one, 8-(2-nitrophenyl)-2-(phenylmethyl)-, exo-(.+-.)-
SpectraBase Compound ID AsTMkLtHEMv
InChI InChI=1S/C21H22N2O3/c24-20-13-16-10-11-22(14-15-6-2-1-3-7-15)19(12-16)21(20)17-8-4-5-9-18(17)23(25)26/h1-9,16,19,21H,10-14H2
InChIKey FAPSMLQEZGNLPG-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C21H22N2O3
Exact Mass 350.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8mNpsUHLo5w
Name 2-Azabicyclo[3.3.1]nonan-7-one, 8-(2-nitrophenyl)-2-(phenylmethyl)-, exo-(.+-.)-
CAS Registry Number 116787-62-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O3
InChI InChI=1S/C21H22N2O3/c24-20-13-16-10-11-22(14-15-6-2-1-3-7-15)19(12-16)21(20)17-8-4-5-9-18(17)23(25)26/h1-9,16,19,21H,10-14H2
InChIKey FAPSMLQEZGNLPG-UHFFFAOYSA-N
Molecular Weight 350.418 g/mol
SMILES C1(C2N(Cc3ccccc3)CCC(CC1=O)C2)c1c(N(=O)=O)cccc1
SPLASH splash10-0006-9200000000-75423764c264f0a7a413
Source of Spectrum F-44-2091-5
Synonyms (2RS,5SR,8RS)-2-benzyl-7-(o-nitrophenyl)-2-azabicyclo[3.3.1]nonan-7-en 2-Benzyl-8-(2-nitrophenyl)-2-azabicyclo[3.3.1]nonan-7-one
Wiley ID 1342083