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(1S*,4S*,6R*)-5-Isopropylidene-4-phenyl-3-(toluene-4-sulfonyl)-3-azabicyclo[4.1.0]heptane
SpectraBase Compound ID 4I8nzDX4qad
InChI InChI=1S/C22H25NO2S/c1-15(2)21-20-13-18(20)14-23(22(21)17-7-5-4-6-8-17)26(24,25)19-11-9-16(3)10-12-19/h4-12,18,20,22H,13-14H2,1-3H3/t18-,20-,22+/m1/s1
InChIKey OMBDTISKCONNOT-UZKOGDIHSA-N
Mol Weight 367.51 g/mol
Molecular Formula C22H25NO2S
Exact Mass 367.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yhoEr2r78H
Name (1S*,4S*,6R*)-5-Isopropylidene-4-phenyl-3-(toluene-4-sulfonyl)-3-azabicyclo[4.1.0]heptane
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Formula C22H25NO2S
InChI InChI=1S/C22H25NO2S/c1-15(2)21-20-13-18(20)14-23(22(21)17-7-5-4-6-8-17)26(24,25)19-11-9-16(3)10-12-19/h4-12,18,20,22H,13-14H2,1-3H3/t18-,20-,22+/m1/s1
InChIKey OMBDTISKCONNOT-UZKOGDIHSA-N
Literature Reference DOI 10.1021/ol101741f
Molecular Weight 367.507 g/mol
SMILES C1[C@]2([H])[C@@](C(=C(C)C)[C@](c3ccccc3)(N1S(c1ccc(cc1)C)(=O)=O)[H])([H])C2
SPLASH splash10-01ox-2691000000-869a9261abc896c2a159
Source of Spectrum A1-12-4144/SMS26-35
Synonyms (1S,4S,6R)-4-phenyl-5-(propan-2-ylidene)-3-tosyl-3-azabicyclo[4.1.0]heptane (1S,4S,6R)-5-isopropylidene-4-phenyl-3-(p-tolylsulfonyl)-3-azabicyclo[4.1.0]heptane (1S,4S,6R)-3-(4-methylphenyl)sulfonyl-4-phenyl-5-propan-2-ylidene-3-azabicyclo[4.1.0]heptane
Wiley ID 1752548