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rac-(3aR,5R,7S,7aR)-5-(3,5-difluorophenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isooxazole
SpectraBase Compound ID jyoyTQAFXi
InChI InChI=1S/C18H25F2NO/c1-11-9-18(4,12-6-13(19)8-14(20)7-12)10-15-16(11)21(5)22-17(15,2)3/h6-8,11,15-16H,9-10H2,1-5H3/t11-,15+,16+,18+/m0/s1
InChIKey BCTLWEZGIZZHBA-TWIYPKMFSA-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 6zEWzYA0Hur
Name rac-(3aR,5R,7S,7aR)-5-(3,5-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(4,12-6-13(19)8-14(20)7-12)10-15-16(11)21(5)22-17(15,2)3/h6-8,11,15-16H,9-10H2,1-5H3/t11-,15+,16+,18+/m0/s1
InChIKey BCTLWEZGIZZHBA-TWIYPKMFSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 309.401 g/mol
SMILES c1(cc(cc(c1)[C@]1(C[C@@]2([C@](N(OC2(C)C)C)([C@](C1)(C)[H])[H])[H])C)F)F
SPLASH splash10-056r-2912000000-38a39df84560697f69a1
Source of Spectrum CN114761385A
Wiley ID 1884391