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rac-(3aR,5R,7S,7aR)-5-(4-fluorophenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazole
SpectraBase Compound ID 5c91lj6jXQt
InChI InChI=1S/C18H26FNO/c1-12-10-18(4,13-6-8-14(19)9-7-13)11-15-16(12)20(5)21-17(15,2)3/h6-9,12,15-16H,10-11H2,1-5H3/t12-,15+,16+,18+/m0/s1
InChIKey PBYABBWUEOZMRK-LMWIJYBJSA-N
Mol Weight 291.41 g/mol
Molecular Formula C18H26FNO
Exact Mass 291.199843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7Oy13sOPmJ
Name rac-(3aR,5R,7S,7aR)-5-(4-fluorophenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazole
Appearance Pale yellow oil
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Formula C18H26FNO
InChI InChI=1S/C18H26FNO/c1-12-10-18(4,13-6-8-14(19)9-7-13)11-15-16(12)20(5)21-17(15,2)3/h6-9,12,15-16H,10-11H2,1-5H3/t12-,15+,16+,18+/m0/s1
InChIKey PBYABBWUEOZMRK-LMWIJYBJSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 291.410 g/mol
SMILES [C@@]1(C[C@@]2([C@](N(OC2(C)C)C)([C@](C1)(C)[H])[H])[H])(C)c1ccc(cc1)F
SPLASH splash10-004l-1920000000-33d9270c44bc978c7596
Source of Spectrum CN114761385A
Wiley ID 1884417