| SpectraBase Spectrum ID |
2RqMsJVSbLv |
| Name |
(3R,RS)-N-(tert-Butanesulfinyl)-N-(2-propenyl)-1-phenylhex-5-yn-3-amine |
| Appearance |
Orange wax |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H27NOS |
| InChI |
InChI=1S/C19H27NOS/c1-6-11-18(15-14-17-12-9-8-10-13-17)20(16-7-2)22(21)19(3,4)5/h1,7-10,12-13,18H,2,11,14-16H2,3-5H3/t18-,22?/m0/s1 |
| InChIKey |
NVIGXSIVUOVWEJ-PGRDOPGGSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901590 |
| Molecular Weight |
317.491 g/mol |
| Optical Rotation |
[a]20D = +40.6 (c = 1.05, CH2Cl2) |
| Reported Formula |
C19H27NOS |
| SMILES |
C([C@@](N([S@](=O)C(C)(C)C)CC=C)(CC#C)[H])Cc1ccccc1 |
| SPLASH |
splash10-0603-9880000000-7ebf26b33c75d3bfbe36 |
| Source of Spectrum |
U1-2020-121-8a |
| Thin-Layer Chromatography |
Rf = 0.40 (hexane/EtOAc, 4:1) |
| Wiley ID |
1856953 |
