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rac-(3aR,5R,7S,7aR)-5-(2,4-difluorophenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isooxazole
SpectraBase Compound ID G6MHHLV1H9
InChI InChI=1S/C18H25F2NO/c1-11-9-18(4,13-7-6-12(19)8-15(13)20)10-14-16(11)21(5)22-17(14,2)3/h6-8,11,14,16H,9-10H2,1-5H3/t11-,14+,16+,18+/m0/s1
InChIKey OMFCSJIZFLRECS-KHXXDLOKSA-N
Mol Weight 309.4 g/mol
Molecular Formula C18H25F2NO
Exact Mass 309.190421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2fQe0jZWz2
Name rac-(3aR,5R,7S,7aR)-5-(2,4-difluorophenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isooxazole
Appearance Pale yellow oil
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Formula C18H25F2NO
InChI InChI=1S/C18H25F2NO/c1-11-9-18(4,13-7-6-12(19)8-15(13)20)10-14-16(11)21(5)22-17(14,2)3/h6-8,11,14,16H,9-10H2,1-5H3/t11-,14+,16+,18+/m0/s1
InChIKey OMFCSJIZFLRECS-KHXXDLOKSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 309.401 g/mol
SMILES [C@@]1(C[C@@]2([C@](N(OC2(C)C)C)([C@](C1)(C)[H])[H])[H])(C)c1ccc(cc1F)F
SPLASH splash10-0570-4901000000-8d238e4f60a07141cb65
Source of Spectrum CN114761385A
Wiley ID 1884422