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exo-7-(4-Methoxyphenyl)-6-(4-(tolylsulfonyl)-6-azabicyclo[3.2.2]nonan-8-one
SpectraBase Compound ID KOjO4VJugCV
InChI InChI=1S/C22H25NO4S/c1-15-6-12-19(13-7-15)28(25,26)23-17-4-3-5-20(21(24)14-17)22(23)16-8-10-18(27-2)11-9-16/h6-13,17,20,22H,3-5,14H2,1-2H3/t17-,20+,22-/m1/s1
InChIKey MZKBETPKVDNXOM-PIPMEXSNSA-N
Mol Weight 399.51 g/mol
Molecular Formula C22H25NO4S
Exact Mass 399.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GqOOEMwczM
Name exo-7-(4-Methoxyphenyl)-6-(4-(tolylsulfonyl)-6-azabicyclo[3.2.2]nonan-8-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO4S
InChI InChI=1S/C22H25NO4S/c1-15-6-12-19(13-7-15)28(25,26)23-17-4-3-5-20(21(24)14-17)22(23)16-8-10-18(27-2)11-9-16/h6-13,17,20,22H,3-5,14H2,1-2H3/t17-,20+,22-/m1/s1
InChIKey MZKBETPKVDNXOM-PIPMEXSNSA-N
Molecular Weight 399.505 g/mol
SMILES [C@]1(N(S(c2ccc(cc2)C)(=O)=O)[C@@]2(CCC[C@]1(C(C2)=O)[H])[H])(c1ccc(cc1)OC)[H]
SPLASH splash10-0006-9071000000-8d2412fde078e238e87a
Source of Spectrum U1-2002-3677-7
Wiley ID 1523393