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(+-)-(1.alpha.,2a.beta.,9b.beta.)-2a-Hydroxy-2,2a,3,4,5,9b-hexahydro-1H-cyclobuta[a]benzocycloheptene-1H-carbonitrile
SpectraBase Compound ID IJsEG0p0556
InChI InChI=1S/C14H15NO/c15-9-11-8-14(16)7-3-5-10-4-1-2-6-12(10)13(11)14/h1-2,4,6,11,13,16H,3,5,7-8H2/t11-,13-,14+/m0/s1
InChIKey YOUIIYPTXFLBKC-FPMFFAJLSA-N
Mol Weight 213.28 g/mol
Molecular Formula C14H15NO
Exact Mass 213.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 196fle84Lw
Name (+-)-(1.alpha.,2a.beta.,9b.beta.)-2a-Hydroxy-2,2a,3,4,5,9b-hexahydro-1H-cyclobuta[a]benzocycloheptene-1H-carbonitrile
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Formula C14H15NO
InChI InChI=1S/C14H15NO/c15-9-11-8-14(16)7-3-5-10-4-1-2-6-12(10)13(11)14/h1-2,4,6,11,13,16H,3,5,7-8H2/t11-,13-,14+/m0/s1
InChIKey YOUIIYPTXFLBKC-FPMFFAJLSA-N
Molecular Weight 213.280 g/mol
SMILES O[C@]12[C@@](c3c(cccc3)CCC1)([H])[C@@](C2)(C#N)[H]
SPLASH splash10-0aor-0900000000-5824a4f7b1d0c82158c6
Source of Spectrum KC-0-58-33
Synonyms (1R,2aR,9bS)-2a-hydroxy-2,2a,3,4,5,9b-hexahydro-1H-benzo[a]cyclobuta[c]cycloheptene-1-carbonitrile
Wiley ID 782926