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3-.alpha.-(4-Isopropenylphenyl)-6-(4-nitrophenylsulfonyl)-4-.beta.-propionyl-6-azabicyclo[3.2.2]nonane
SpectraBase Compound ID 82b9W5WKBqr
InChI InChI=1S/C26H30N2O5S/c1-4-25(29)26-23(20-8-6-19(7-9-20)17(2)3)15-18-5-14-24(26)27(16-18)34(32,33)22-12-10-21(11-13-22)28(30)31/h6-13,18,23-24,26H,2,4-5,14-16H2,1,3H3/t18-,23+,24+,26+/m1/s1
InChIKey NUIHMAISZXZOEY-IUGKGNRASA-N
Mol Weight 482.6 g/mol
Molecular Formula C26H30N2O5S
Exact Mass 482.187543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LI3ePpF4Y7S
Name 3-.alpha.-(4-Isopropenylphenyl)-6-(4-nitrophenylsulfonyl)-4-.beta.-propionyl-6-azabicyclo[3.2.2]nonane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N2O5S
InChI InChI=1S/C26H30N2O5S/c1-4-25(29)26-23(20-8-6-19(7-9-20)17(2)3)15-18-5-14-24(26)27(16-18)34(32,33)22-12-10-21(11-13-22)28(30)31/h6-13,18,23-24,26H,2,4-5,14-16H2,1,3H3/t18-,23+,24+,26+/m1/s1
InChIKey NUIHMAISZXZOEY-IUGKGNRASA-N
Molecular Weight 482.595 g/mol
SMILES [C@]12(N(S(c3ccc(N(=O)=O)cc3)(=O)=O)C[C@@](C[C@]([C@@]1(C(=O)CC)[H])(c1ccc(C(=C)C)cc1)[H])(CC2)[H])[H]
SPLASH splash10-0002-0090000000-6f4f5569650b53118417
Source of Spectrum J-66-7901-13
Synonyms 1-{(3R,4S)-3-(4-isopropenylphenyl)-6-[(4-nitrophenyl)sulfonyl]-6-azabicyclo[3.2.2]non-4-yl}-1-propanone
Wiley ID 1568463