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rac-(3aR,5R,7S,7aR)-5-(3,4-difluorophenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isooxazole
SpectraBase Compound ID 3RpAifKCIcw
InChI InChI=1S/C18H25F2NO/c1-11-9-18(4,12-6-7-14(19)15(20)8-12)10-13-16(11)21(5)22-17(13,2)3/h6-8,11,13,16H,9-10H2,1-5H3/t11-,13+,16+,18+/m0/s1
InChIKey SUAHUFMOEQMGLY-DLLRYNTMSA-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 DmRuQ8DwXO1
Name rac-(3aR,5R,7S,7aR)-5-(3,4-difluorophenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isooxazole
Appearance Yellow oil
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Formula C18H25F2NO
InChI InChI=1S/C18H25F2NO/c1-11-9-18(4,12-6-7-14(19)15(20)8-12)10-13-16(11)21(5)22-17(13,2)3/h6-8,11,13,16H,9-10H2,1-5H3/t11-,13+,16+,18+/m0/s1
InChIKey SUAHUFMOEQMGLY-DLLRYNTMSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 309.401 g/mol
SMILES c1c(c(cc(c1)[C@]1(C[C@@]2([C@](N(OC2(C)C)C)([C@](C1)(C)[H])[H])[H])C)F)F
SPLASH splash10-0570-2901000000-19a2be8268d4f0da99fd
Source of Spectrum CN114761385A
Wiley ID 1884394