| SpectraBase Spectrum ID |
CBFHhHHhUX5 |
| Name |
(1S*,2S*,5S*,6S*,7R*,8S*)-13-Isothiocyanatocubebane |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H25NS |
| InChI |
InChI=1S/C16H25NS/c1-10-7-8-16-11(2)5-6-12(14(16)13(10)16)15(3,4)17-9-18/h10-14H,5-8H2,1-4H3/t10-,11-,12-,13+,14+,16-/m0/s1 |
| InChIKey |
PFDINSDEWOBSRZ-HFVXDEDMSA-N |
| Instrument Name |
Thermo Quest TSQ 700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np030458p |
| Molecular Weight |
263.443 g/mol |
| Optical Rotation |
[a]D26 = -15.0 (c = 1.2, CHCl3) |
| Reported Formula |
C16H25NS |
| SMILES |
C1C[C@]23[C@@]([C@]3([C@]1(C)[H])[H])([C@](CC[C@@]2(C)[H])(C(C)(C)N=C=S)[H])[H] |
| SPLASH |
splash10-08fr-0950000000-c6ce3f9c6523ae629c69 |
| Source of Spectrum |
G4-67-836-2 |
| Wiley ID |
1881780 |
