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(1R*,2S*,4S*,2'S*)-N-Benzyl-1-propylbicyclo[2.2.2]oct-5-ene-2,2'-sultam
SpectraBase Compound ID KVUO1ffa2lz
InChI InChI=1S/C18H23NO2S/c1-14-12-18-9-7-15(8-10-18)11-17(18)22(20,21)19(14)13-16-5-3-2-4-6-16/h2-7,9,14-15,17H,8,10-13H2,1H3/t14-,15-,17-,18+/m1/s1
InChIKey GJJMREKYFAVWNW-AHCXZYCDSA-N
Mol Weight 317.45 g/mol
Molecular Formula C18H23NO2S
Exact Mass 317.14495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ACVfBICjg
Name (1R*,2S*,4S*,2'S*)-N-Benzyl-1-propylbicyclo[2.2.2]oct-5-ene-2,2'-sultam
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Formula C18H23NO2S
InChI InChI=1S/C18H23NO2S/c1-14-12-18-9-7-15(8-10-18)11-17(18)22(20,21)19(14)13-16-5-3-2-4-6-16/h2-7,9,14-15,17H,8,10-13H2,1H3/t14-,15-,17-,18+/m1/s1
InChIKey GJJMREKYFAVWNW-AHCXZYCDSA-N
Molecular Weight 317.447 g/mol
SMILES [C@]1(N(S([C@]2([C@@]3(C1)C=C[C@@](C2)(CC3)[H])[H])(=O)=O)Cc1ccccc1)(C)[H]
SPLASH splash10-0006-9000000000-f843c3ccf132125c1594
Source of Spectrum F-56-878-5
Synonyms (1R,3S,6S,8S)-4-benzyl-3-methyl-5-thia-4-azatricyclo[6.2.2.0(1,6)]dodec-9-ene 5,5-dioxide
Wiley ID 855769