| SpectraBase Spectrum ID |
JpnRuKqAB6P |
| Name |
(1R*,6R*,7S*,10S*)-10-Isothiocyanatocadin-4-ene |
| Appearance |
Colorless powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H25NS |
| InChI |
InChI=1S/C16H25NS/c1-11(2)13-7-8-16(4,17-10-18)15-6-5-12(3)9-14(13)15/h9,11,13-15H,5-8H2,1-4H3/t13-,14-,15+,16-/m0/s1 |
| InChIKey |
SRYJMNDTUAKSRD-JONQDZQNSA-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 = +75.7 (c = 2.4, CHCl3) |
| Reported Formula |
C16H25NS |
| SMILES |
C1C(C)=C[C@@]2([H])[C@](C(C)C)(CC[C@@](N=C=S)(C)[C@]2([H])C1)[H] |
| SPLASH |
splash10-03di-0290000000-e9b8c96f618f97762a04 |
| Source of Spectrum |
G4-67-836-1 |
| Wiley ID |
1881779 |
