| SpectraBase Spectrum ID |
BQOJFyzeAKL |
| Name |
(1S,4R)-4-((S)-4-Iodobutane-2-yl)-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene |
| Appearance |
Light-sensitive colorless solid |
| Carrier Gas |
Hydrogen (1.7 ml/min, 1.2 bar) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.084445741 u |
| Formula |
C16H23I |
| GC Column |
Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C16H23I/c1-11-4-6-14-12(2)5-7-15(16(14)10-11)13(3)8-9-17/h4,6,10,12-13,15H,5,7-9H2,1-3H3/t12-,13-,15+/m0/s1 |
| InChIKey |
BYTVFIAFDOEQRY-KCQAQPDRSA-N |
| Instrument Name |
Agilent GC6890-HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202101863 |
| Molecular Weight |
342.264 g/mol |
| Optical Rotation |
[a]lambda20 = 12.1 (436 nm), 15.1 (546 nm), 14.9 (579 nm), 13.1 (589 nm) (c = 0.30 g/100 ml, CHCl3) |
| Quality |
146 |
| SMILES |
C12=C(C=CC(=C2)C)[C@](CC[C@@]1([C@](CCI)(C)[H])[H])(C)[H] |
| SPLASH |
splash10-0a4i-0900000000-5c4b26ceaaa10c9261b9 |
| Source of Spectrum |
QE-27-SM21-16 (DOI: 10.1002/chem.202101863) |
| Thin-Layer Chromatography |
0.77 (CyHex/EtOAc, 50:1) |
| Wiley ID |
1902158 |
