| SpectraBase Spectrum ID |
4z4DxcEJn6 |
| Name |
(3R,RS)-N-(tert-Butanesulfinyl)-N-(2-propyl)-1-phenylhex-5-yn-3-amine |
| Appearance |
Brown oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H25NOS |
| InChI |
InChI=1S/C19H25NOS/c1-6-11-18(15-14-17-12-9-8-10-13-17)20(16-7-2)22(21)19(3,4)5/h1-2,8-10,12-13,18H,11,14-16H2,3-5H3/t18-,22?/m0/s1 |
| InChIKey |
VJEXNPBKHABOMI-HXBUSHRASA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901590 |
| Molecular Weight |
315.475 g/mol |
| Optical Rotation |
[a]20D = +97.1 (c = 0.90, CH2Cl2) |
| Reported Formula |
C19H25NOS |
| SMILES |
C([C@@](N([S@](=O)C(C)(C)C)CC#C)(CC#C)[H])Cc1ccccc1 |
| SPLASH |
splash10-066u-7950000000-b376cd798a4447ffd9c5 |
| Source of Spectrum |
U1-2020-120-4a |
| Thin-Layer Chromatography |
Rf = 0.32 (hexane/EtOAc, 4:1) |
| Wiley ID |
1856928 |
