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(2aS*,5aS*,6S*,10bR*)-6-[4-(Trifluoromethyl)phenyl]-5,5a,6,10b-tetrahydro-3H-cyclobuta[1,2]naphtho[2,3-c]furan-2-carbonitrile

View entire compound with spectra: 1 MS (GC)

(2aS*,5aS*,6S*,10bR*)-6-[4-(Trifluoromethyl)phenyl]-5,5a,6,10b-tetrahydro-3H-cyclobuta[1,2]naphtho[2,3-c]furan-2-carbonitrile
SpectraBase Compound ID GQn1cWtAYg7
InChI InChI=1S/C22H16F3NO/c23-22(24,25)14-7-5-13(6-8-14)20-17-4-2-1-3-16(17)18-9-15(10-26)21(18)12-27-11-19(20)21/h1-9,18-20H,11-12H2/t18-,19+,20+,21-/m1/s1
InChIKey DPFKKAZTMMPKQC-IVAOSVALSA-N
Mol Weight 367.37 g/mol
Molecular Formula C22H16F3NO
Exact Mass 367.118399 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8AUfcVQGtp1
Name (2aS*,5aS*,6S*,10bR*)-6-[4-(Trifluoromethyl)phenyl]-5,5a,6,10b-tetrahydro-3H-cyclobuta[1,2]naphtho[2,3-c]furan-2-carbonitrile
Appearance Pale yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.118398627 u
Formula C22H16F3NO
InChI InChI=1S/C22H16F3NO/c23-22(24,25)14-7-5-13(6-8-14)20-17-4-2-1-3-16(17)18-9-15(10-26)21(18)12-27-11-19(20)21/h1-9,18-20H,11-12H2/t18-,19+,20+,21-/m1/s1
InChIKey DPFKKAZTMMPKQC-IVAOSVALSA-N
Instrument Name JEOL JMS-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ejoc.202201051
Molecular Weight 367.371 g/mol
Quality 221
Reported Formula C22H16F3NO
SMILES C1=CC=CC2=C1[C@@]([C@]1([C@]3([C@@]2(C=C3C#N)[H])COC1)[H])(C=1C=CC(=CC1)C(F)(F)F)[H]
SPLASH splash10-014i-0359000000-41e77d34fd1d8cb32c18
Source of Spectrum K1-2022-12-cis-7af (DOI: 10.1002/ejoc.202201051)
Wiley ID 1898989