| SpectraBase Spectrum ID |
FwWBIw8y20f |
| Name |
(+)-(1S*,2S*,5S*,6S*,7R*,8S*)-13-Isocyanocubebane |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H25N |
| InChI |
InChI=1S/C16H25N/c1-10-7-8-16-11(2)5-6-12(14(16)13(10)16)15(3,4)9-17/h10-14H,5-8H2,1-4H3/t10-,11-,12-,13+,14+,16-/m1/s1 |
| InChIKey |
BBZJMQHDKNKGNU-JDPLCVSVSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.5b00354 |
| Molecular Weight |
231.383 g/mol |
| Optical Rotation |
[a]D = +26 (c = 0.013, CHCl3) |
| Reported Formula |
C16H25N |
| SMILES |
C1[C@]([C@@]23[C@@]([C@@](C1)(C(C)(C)C#N)[H])([C@@]2([C@@](CC3)(C)[H])[H])[H])(C)[H] |
| SPLASH |
splash10-0abc-2910000000-a43ac3fc4d89f23556e8 |
| Source of Spectrum |
G4-78-1426-5 |
| Wiley ID |
1865872 |
