| SpectraBase Spectrum ID |
KP8Cd8q63If |
| Name |
(E)-2-(4-Methyl-1-tosylpyrrolidin-3-ylidene)-2-phenylacetaldehyde |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.124214711 u |
| Formula |
C20H21NO3S |
| InChI |
InChI=1S/C20H21NO3S/c1-15-8-10-18(11-9-15)25(23,24)21-12-16(2)19(13-21)20(14-22)17-6-4-3-5-7-17/h3-11,14,16H,12-13H2,1-2H3/b20-19+ |
| InChIKey |
QXNOTXISURSNLT-FMQUCBEESA-N |
| Instrument Name |
JEOL JMS-700 MStation or JMS-Q1000TD TLC-MS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/asia.202201241 |
| Molecular Weight |
355.452 g/mol |
| Optical Rotation |
[a]D27 = +16.7 (c = 1.00, CHCl3) |
| Quality |
239 |
| Reported Formula |
C20H21NO3S |
| SMILES |
CC1\C(CN(C1)S(C1=CC=C(C=C1)C)(=O)=O)=C/(C=O)C1=CC=CC=C1 |
| SPLASH |
splash10-004l-9610000000-06b1074d0dae27d97e30 |
| Sample Comments |
93% ee |
| Source of Spectrum |
CAJ-18-SM12-2d (DOI: 10.1002/asia.202201241) |
| Thin-Layer Chromatography |
0.46 (n-hexane/AcOEt, 5:1) |
| Wiley ID |
1901127 |
