| SpectraBase Spectrum ID |
3fT3pcJxO6y |
| Name |
(-)-(1S,3R,4R,6R,7R,9S)-4-Thiocyanatoneopupukeanane |
| Appearance |
Oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H25NS |
| InChI |
InChI=1S/C16H25NS/c1-10(2)12-5-13-15(3)6-11(12)7-16(13,4)14(8-15)18-9-17/h10-14H,5-8H2,1-4H3/t11-,12+,13-,14-,15-,16+/m1/s1 |
| InChIKey |
FWSLFNLAKLAERE-GEONZQJFSA-N |
| Instrument Name |
Jeol JMS-DX 303 GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0003.707 |
| Molecular Weight |
263.443 g/mol |
| Optical Rotation |
[a]D28 = -117.6 (c = 1.08, CHCl3) |
| Quality |
42 |
| SMILES |
[C@@]12([C@@]3(C[C@]([C@@](C2)(C[C@]3(C)C[C@]1(SC#N)[H])[H])(C(C)C)[H])[H])C |
| SPLASH |
splash10-0a4i-2490000000-a20b433cab127c0a5c11 |
| Source of Spectrum |
ARK-2002-60-6 (DOI: 10.3998/ark.5550190.0003.707) |
| Wiley ID |
1904760 |
