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rac-(3aR,5R,7S,7aR)-5-(3-fluoro-5-(trifluoromethyl)phenyl)-1,3,3,5,7-pentamethyloctahydroBenzo[c]isoxazole
SpectraBase Compound ID CNKZcF0UpbV
InChI InChI=1S/C19H25F4NO/c1-11-9-18(4,10-15-16(11)24(5)25-17(15,2)3)12-6-13(19(21,22)23)8-14(20)7-12/h6-8,11,15-16H,9-10H2,1-5H3/t11-,15+,16+,18+/m0/s1
InChIKey JEKVTQUVHWDLIM-TWIYPKMFSA-N
Mol Weight 359.41 g/mol
Molecular Formula C19H25F4NO
Exact Mass 359.187227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tU8OxwpBFu
Name rac-(3aR,5R,7S,7aR)-5-(3-fluoro-5-(trifluoromethyl)phenyl)-1,3,3,5,7-pentamethyloctahydroBenzo[c]isoxazole
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25F4NO
InChI InChI=1S/C19H25F4NO/c1-11-9-18(4,10-15-16(11)24(5)25-17(15,2)3)12-6-13(19(21,22)23)8-14(20)7-12/h6-8,11,15-16H,9-10H2,1-5H3/t11-,15+,16+,18+/m0/s1
InChIKey JEKVTQUVHWDLIM-TWIYPKMFSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 359.409 g/mol
SMILES [C@@]1(C[C@@]2([C@](N(OC2(C)C)C)([C@](C1)(C)[H])[H])[H])(C)c1cc(cc(c1)F)C(F)(F)F
SPLASH splash10-056r-5944000000-5044fb0aa4259dfa49e8
Source of Spectrum CN114761385A
Wiley ID 1884403