| SpectraBase Spectrum ID |
B3WThrtCDwG |
| Name |
(2aS*,5aS*,6S*,10bR*)-6-(4-Cyanophenyl)-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 |
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-CLAROIROSA-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 |
splash10-0103-0596000000-53c247cae0088fe3a000 |
| Source of Spectrum |
K1-2022-12-cis-7ae (DOI: 10.1002/ejoc.202201051) |
| Wiley ID |
1898988 |
![(2aS*,5aS*,6S*,10bR*)-6-(4-Cyanophenyl)-5,5a,6,10b-tetrahydro-3H-cyclobuta[1,2]naphtho[2,3-c]furan-2-carbonitrile](/api/spectrum/B3WThrtCDwG/structure.png?h=300&w=458 "(2aS*,5aS*,6S*,10bR*)-6-(4-Cyanophenyl)-5,5a,6,10b-tetrahydro-3H-cyclobuta[1,2]naphtho[2,3-c]furan-2-carbonitrile")
