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(2aS*,5aS*,6R*,10bR*)-6-(4-Methoxyphenyl)-5,5a,6,10b-tetrahydro-3H-cyclobuta[1,2]naphtho[2,3-c]furan-2-carbonitrile
SpectraBase Compound ID 79c4imV6lPk
InChI InChI=1S/C22H19NO2/c1-24-16-8-6-14(7-9-16)21-18-5-3-2-4-17(18)19-10-15(11-23)22(19)13-25-12-20(21)22/h2-10,19-21H,12-13H2,1H3/t19-,20+,21-,22-/m1/s1
InChIKey RVIISVKFNVRGCZ-CIAFKFPVSA-N
Mol Weight 329.4 g/mol
Molecular Formula C22H19NO2
Exact Mass 329.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rJJH1nEgIZ
Name (2aS*,5aS*,6R*,10bR*)-6-(4-Methoxyphenyl)-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 329.141578854 u
Formula C22H19NO2
InChI InChI=1S/C22H19NO2/c1-24-16-8-6-14(7-9-16)21-18-5-3-2-4-17(18)19-10-15(11-23)22(19)13-25-12-20(21)22/h2-10,19-21H,12-13H2,1H3/t19-,20+,21-,22-/m1/s1
InChIKey RVIISVKFNVRGCZ-CIAFKFPVSA-N
Instrument Name JEOL JMS-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ejoc.202201051
Molecular Weight 329.399 g/mol
Quality 247
Reported Formula C22H19NO2
SMILES C1=CC2=C(C=C1)[C@@]1([C@]3([C@]([C@@]2(C2=CC=C(C=C2)OC)[H])(COC3)[H])C(=C1)C#N)[H]
SPLASH splash10-00b9-0598000000-8c307718a3a1b2d78a81
Source of Spectrum K1-2022-11-trans-7ac (DOI: 10.1002/ejoc.202201051)
Wiley ID 1898996