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4,5,6,7-Tetrahydro-3-(4'-methylphenyl)-6,6-dimethyl-5,7-methylene bridge-2,1-benzisoxazole
SpectraBase Compound ID BpcXTUUMrmL
InChI InChI=1S/C17H19NO/c1-10-4-6-11(7-5-10)16-13-8-12-9-14(17(12,2)3)15(13)18-19-16/h4-7,12,14H,8-9H2,1-3H3
InChIKey HFGBMSKLGCWHBZ-UHFFFAOYSA-N
Mol Weight 253.34 g/mol
Molecular Formula C17H19NO
Exact Mass 253.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2PzNrGtusa
Name 4,5,6,7-Tetrahydro-3-(4'-methylphenyl)-6,6-dimethyl-5,7-methylene bridge-2,1-benzisoxazole
Appearance White crystals
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Formula C17H19NO
InChI InChI=1S/C17H19NO/c1-10-4-6-11(7-5-10)16-13-8-12-9-14(17(12,2)3)15(13)18-19-16/h4-7,12,14H,8-9H2,1-3H3
InChIKey HFGBMSKLGCWHBZ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 253.345 g/mol
Optical Rotation [a]D28 = -102.0 (c = 0.05, CH3OH)
SMILES C12c3c(CC(C2(C)C)C1)c(on3)-c1ccc(cc1)C
SPLASH splash10-014l-8980000000-68d326a3bd1f855a5107
Source of Spectrum CN103980217B
Wiley ID 1850234