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(3R*,3aS*,4S*,7R*,7aS*)-3-Methyl-3-(2-pyridyl)perhydro-4,7-methano-1,2-benzisoxazole
SpectraBase Compound ID 2bS7GNYkalz
InChI InChI=1S/C14H18N2O/c1-14(11-4-2-3-7-15-11)12-9-5-6-10(8-9)13(12)17-16-14/h2-4,7,9-10,12-13,16H,5-6,8H2,1H3/t9-,10+,12+,13-,14-/m0/s1
InChIKey SIINNFCVHQWTTE-MYALOSSISA-N
Mol Weight 230.31 g/mol
Molecular Formula C14H18N2O
Exact Mass 230.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Z881eGDwky
Name (3R*,3aS*,4S*,7R*,7aS*)-3-Methyl-3-(2-pyridyl)perhydro-4,7-methano-1,2-benzisoxazole
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Formula C14H18N2O
InChI InChI=1S/C14H18N2O/c1-14(11-4-2-3-7-15-11)12-9-5-6-10(8-9)13(12)17-16-14/h2-4,7,9-10,12-13,16H,5-6,8H2,1H3/t9-,10+,12+,13-,14-/m0/s1
InChIKey SIINNFCVHQWTTE-MYALOSSISA-N
Molecular Weight 230.311 g/mol
SMILES N1O[C@@]2([C@]([C@@]1(c1ncccc1)C)([C@@]1(C[C@@]2([H])CC1)[H])[H])[H]
SPLASH splash10-0uyi-4950000000-48ca13681f89926eb8c5
Source of Spectrum AJ-66-2734-2
Synonyms (1R,2S,5R,6S,7S)-5-methyl-5-(2-pyridinyl)-3-oxa-4-azatricyclo[5.2.1.0(2,6)]decane
Wiley ID 772278