| SpectraBase Spectrum ID |
HlqN4qh3NSN |
| Name |
(1R,SS)-N-(tert-Butanesulfinyl)-N-(2-propyl)-1-phenylbut-3-yn-1-amine |
| Appearance |
Brown wax |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21NOS |
| InChI |
InChI=1S/C17H21NOS/c1-6-11-16(15-12-9-8-10-13-15)18(14-7-2)20(19)17(3,4)5/h1-2,8-10,12-13,16H,11,14H2,3-5H3/t16-,20?/m1/s1 |
| InChIKey |
NZTRPVQEUBHFDE-QRIPLOBPSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901590 |
| Molecular Weight |
287.421 g/mol |
| Optical Rotation |
[a]20D = -17.8 (c = 1.01, CH2Cl2) |
| Reported Formula |
C17H21NOS |
| SMILES |
c1([C@](N([S@@](=O)C(C)(C)C)CC#C)(CC#C)[H])ccccc1 |
| SPLASH |
splash10-004l-3900000000-5ec2e1ee4830754a8cb6 |
| Source of Spectrum |
U1-2020-120-ent-4b |
| Thin-Layer Chromatography |
Rf = 0.35 (hexane/EtOAc, 4:1) |
| Wiley ID |
1856959 |
