| SpectraBase Spectrum ID |
9zJDCFRmU5A |
| Name |
(-)-(1S,2R,5R,8R)-1-Isothiocyanatoepicaryolane |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H25NS |
| InChI |
InChI=1S/C16H25NS/c1-14(2)9-13-12(14)5-8-15(3)6-4-7-16(13,10-15)17-11-18/h12-13H,4-10H2,1-3H3/t12-,13-,15-,16+/m1/s1 |
| InChIKey |
DAZOUEIRWBZBJQ-XOUADPBQSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.5b00354 |
| Molecular Weight |
263.443 g/mol |
| Optical Rotation |
[a]D = -3 (c = 0.026, CHCl3) |
| Reported Formula |
C16H25NS |
| SMILES |
[C@]12([C@]([C@]3(C[C@@](CC2)(CCC3)C)N=C=S)(CC1(C)C)[H])[H] |
| SPLASH |
splash10-052b-0960000000-bd98b662f42315be0600 |
| Source of Spectrum |
G4-78-1425-3 |
| Wiley ID |
1865870 |
