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rac-(3aR,5R,7S,7aR)-5-(4-fluoro-2-methylphenyl)-1,3,3,7-tetramethyloctahydrobenzo[c]isooxazole
SpectraBase Compound ID 4ty8BZkp4ou
InChI InChI=1S/C18H26FNO/c1-11-9-14(19)6-7-15(11)13-8-12(2)17-16(10-13)18(3,4)21-20(17)5/h6-7,9,12-13,16-17H,8,10H2,1-5H3/t12-,13+,16+,17+/m0/s1
InChIKey ABZHOJUXXXUFOC-NSNWQYSKSA-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 37qfvkxBi4
Name rac-(3aR,5R,7S,7aR)-5-(4-fluoro-2-methylphenyl)-1,3,3,7-tetramethyloctahydrobenzo[c]isooxazole
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26FNO
InChI InChI=1S/C18H26FNO/c1-11-9-14(19)6-7-15(11)13-8-12(2)17-16(10-13)18(3,4)21-20(17)5/h6-7,9,12-13,16-17H,8,10H2,1-5H3/t12-,13+,16+,17+/m0/s1
InChIKey ABZHOJUXXXUFOC-NSNWQYSKSA-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])(c1ccc(cc1C)F)[H]
SPLASH splash10-0fbl-4950000000-d142104ceeaf17855e67
Source of Spectrum CN114761385A
Wiley ID 1884450