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(2aS*,5aS*,6S*,10bR*)-6-(p-Tolyl)-5,5a,6,10b-tetrahydro-3H-cyclobuta[1,2]naphtho[2,3-c]furan-2-carbonitrile
SpectraBase Compound ID 3nFK0dqU54r
InChI InChI=1S/C22H19NO/c1-14-6-8-15(9-7-14)21-18-5-3-2-4-17(18)19-10-16(11-23)22(19)13-24-12-20(21)22/h2-10,19-21H,12-13H2,1H3/t19-,20+,21+,22-/m1/s1
InChIKey SLEIETYCKFWCCZ-CLAROIROSA-N
Mol Weight 313.4 g/mol
Molecular Formula C22H19NO
Exact Mass 313.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FePgOXUQOxD
Name (2aS*,5aS*,6S*,10bR*)-6-(p-Tolyl)-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 313.146664235 u
Formula C22H19NO
InChI InChI=1S/C22H19NO/c1-14-6-8-15(9-7-14)21-18-5-3-2-4-17(18)19-10-16(11-23)22(19)13-24-12-20(21)22/h2-10,19-21H,12-13H2,1H3/t19-,20+,21+,22-/m1/s1
InChIKey SLEIETYCKFWCCZ-CLAROIROSA-N
Instrument Name JEOL JMS-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ejoc.202201051
Molecular Weight 313.400 g/mol
Quality 339
Reported Formula C22H19NO
SMILES C1=CC2=C(C=C1)[C@@]1([C@]3([C@]([C@]2(C2=CC=C(C=C2)C)[H])(COC3)[H])C(=C1)C#N)[H]
SPLASH splash10-03xr-0796000000-ec8d2dbcccf25352fa32
Source of Spectrum K1-2022-11-cis-7ab (DOI: 10.1002/ejoc.202201051)
Wiley ID 1898987