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(1R,7R,8R)-7,9,9-trimethyl-3-(4-methylphenyl)-4-oxa-5-azatricyclo[6.1.1.0(2,6)]dec-5-en-7-ol
SpectraBase Compound ID kQsxgEFZzf
InChI InChI=1S/C18H23NO2/c1-10-5-7-11(8-6-10)15-14-12-9-13(17(12,2)3)18(4,20)16(14)19-21-15/h5-8,12-15,20H,9H2,1-4H3/t12-,13-,14?,15?,18-/m1/s1
InChIKey BNNSXDRSKITVEK-NAMFHTSZSA-N
Mol Weight 285.39 g/mol
Molecular Formula C18H23NO2
Exact Mass 285.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ekml0MpezAV
Name (1R,7R,8R)-7,9,9-trimethyl-3-(4-methylphenyl)-4-oxa-5-azatricyclo[6.1.1.0(2,6)]dec-5-en-7-ol
Appearance White needle crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO2
InChI InChI=1S/C18H23NO2/c1-10-5-7-11(8-6-10)15-14-12-9-13(17(12,2)3)18(4,20)16(14)19-21-15/h5-8,12-15,20H,9H2,1-4H3/t12-,13-,14?,15?,18-/m1/s1
InChIKey BNNSXDRSKITVEK-NAMFHTSZSA-N
Instrument Name Agilent 5975C
Ionization Type EI
Molecular Weight 285.387 g/mol
Optical Rotation [a]D20 = +21.0 (c = 0.5, CH3OH)
SMILES O[C@]1(C)[C@]2(C([C@@](C3C1=NOC3c1ccc(cc1)C)(C2)[H])(C)C)[H]
SPLASH splash10-0fi3-5930000000-108f01ae00f033545aab
Source of Spectrum CN103319430A
Wiley ID 1847489