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(2aS*,5aS*,6R*,10bR*)-6-(4-Cyanophenyl)-5,5a,6,10b-tetrahydro-3H-cyclobuta[1,2]naphtho[2,3-c]furan-2-carbonitrile
SpectraBase Compound ID 2KUk3NZhefk
InChI InChI=1S/C22H16N2O/c23-10-14-5-7-15(8-6-14)21-18-4-2-1-3-17(18)19-9-16(11-24)22(19)13-25-12-20(21)22/h1-9,19-21H,12-13H2/t19-,20+,21-,22-/m1/s1
InChIKey SJANXYRJMPBTSC-CIAFKFPVSA-N
Mol Weight 324.38 g/mol
Molecular Formula C22H16N2O
Exact Mass 324.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QZDNQZPsCt
Name (2aS*,5aS*,6R*,10bR*)-6-(4-Cyanophenyl)-5,5a,6,10b-tetrahydro-3H-cyclobuta[1,2]naphtho[2,3-c]furan-2-carbonitrile
Appearance Pale yellow solid
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Exact Mass 324.126263142 u
Formula C22H16N2O
InChI InChI=1S/C22H16N2O/c23-10-14-5-7-15(8-6-14)21-18-4-2-1-3-17(18)19-9-16(11-24)22(19)13-25-12-20(21)22/h1-9,19-21H,12-13H2/t19-,20+,21-,22-/m1/s1
InChIKey SJANXYRJMPBTSC-CIAFKFPVSA-N
Instrument Name JEOL JMS-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ejoc.202201051
Molecular Weight 324.383 g/mol
Quality 303
Reported Formula C22H16N2O
SMILES C1=CC=CC2=C1[C@]([C@]1([C@]3([C@@]2(C=C3C#N)[H])COC1)[H])(C=1C=CC(=CC1)C#N)[H]
SPLASH splash10-01bc-0696000000-d23413cffe7fc253a073
Source of Spectrum K1-2022-12-trans-7ae (DOI: 10.1002/ejoc.202201051)
Wiley ID 1898998