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(2aS*,5aS*,6R*,10bR*)-6-Phenyl-5,5a,6,10b-tetrahydro-3H-cyclobuta[1,2]naphtho[2,3-c]furan-2-carbonitrile
SpectraBase Compound ID y0DpZui9id
InChI InChI=1S/C21H17NO/c22-11-15-10-18-16-8-4-5-9-17(16)20(14-6-2-1-3-7-14)19-12-23-13-21(15,18)19/h1-10,18-20H,12-13H2/t18-,19+,20-,21-/m1/s1
InChIKey ACTJARCKROYFAD-PLACYPQZSA-N
Mol Weight 299.37 g/mol
Molecular Formula C21H17NO
Exact Mass 299.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8iHOKZZEm6
Name (2aS*,5aS*,6R*,10bR*)-6-Phenyl-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 299.131014170 u
Formula C21H17NO
InChI InChI=1S/C21H17NO/c22-11-15-10-18-16-8-4-5-9-17(16)20(14-6-2-1-3-7-14)19-12-23-13-21(15,18)19/h1-10,18-20H,12-13H2/t18-,19+,20-,21-/m1/s1
InChIKey ACTJARCKROYFAD-PLACYPQZSA-N
Instrument Name JEOL JMS-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ejoc.202201051
Quality 358
Reported Formula C21H17NO
SMILES C1=CC2=C(C=C1)[C@@]1([C@]3([C@]([C@@]2(C2=CC=CC=C2)[H])(COC3)[H])C(=C1)C#N)[H]
SPLASH splash10-014m-0590000000-c342853c5d5003bcf409
Source of Spectrum K1-2022-11-trans-7aa (DOI: 10.1002/ejoc.202201051)
Wiley ID 1898994