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(3R*)-2,3-DIMETHYL-3-((4R*)-(4'-[2.2]-PARACYCLOPHANYL)-2,3-DIHYDROBENZO-[D]-ISOXAZOLE
SpectraBase Compound ID CmrCsvyFn9Q
InChI InChI=1S/C25H25NO/c1-25(22-5-3-4-6-24(22)27-26(25)2)23-17-20-12-11-18-7-9-19(10-8-18)13-15-21(23)16-14-20/h3-10,14,16-17H,11-13,15H2,1-2H3/t25-/m1/s1
InChIKey BSXHIVMKFORSTH-RUZDIDTESA-N
Mol Weight 355.48 g/mol
Molecular Formula C25H25NO
Exact Mass 355.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4U4h5IFuoNo
Name (2S,3S)-2,3-Dimethyl-3-((4S)-4'-[2.2]paracyclophanyl)-2,3-dihydro-benzo[d]isoxazole
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Formula C25H25NO
InChI InChI=1S/C25H25NO/c1-25(22-5-3-4-6-24(22)27-26(25)2)23-17-20-12-11-18-7-9-19(10-8-18)13-15-21(23)16-14-20/h3-10,14,16-17H,11-13,15H2,1-2H3/t25-/m1/s1
InChIKey BSXHIVMKFORSTH-RUZDIDTESA-N
Molecular Weight 355.481 g/mol
SMILES [C@@]1(N(Oc2c1cccc2)C)(c1c2ccc(c1)CCc1ccc(CC2)cc1)C
SPLASH splash10-052o-0169000000-03f82f4484ee4e6deccd
Source of Spectrum K1-0-3005-14
Synonyms (3R*)-2,3-Dimethyl-3-((4R)-4'-[2.2]paracyclophanyl)-2,3-dihydro-benzo[d]isoxazole (3R*)-2,3-Dimethyl-3-((4S)-4'-[2.2]paracyclophanyl)-2,3-dihydro-benzo[d]isoxazole (3S)-2,3-dimethyl-3-tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl-2,3-dihydro-1,2-benzisoxazole
Wiley ID 1589063