| SpectraBase Spectrum ID |
KvvQU9ocUyF |
| Name |
(E)-3-(Benzyloxy)-2-(4-methyl-1-tosylpyrrolidin-3-ylidene)propanal |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H25NO4S |
| InChI |
InChI=1S/C22H25NO4S/c1-17-8-10-21(11-9-17)28(25,26)23-12-18(2)22(13-23)20(14-24)16-27-15-19-6-4-3-5-7-19/h3-11,14,18H,12-13,15-16H2,1-2H3/b22-20+ |
| InChIKey |
OTYKOECPGSZCOB-LSDHQDQOSA-N |
| Instrument Name |
JEOL JMS-700 MStation or JMS-Q1000TD TLC-MS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/asia.202201241 |
| Molecular Weight |
399.505 g/mol |
| Optical Rotation |
[a]D25 = -54.5 (c = 0.12, CHCl3) |
| Quality |
168 |
| Reported Formula |
C22H25NO4S |
| SMILES |
CC1\C(CN(C1)S(C=1C=CC(=CC1)C)(=O)=O)=C/(C=O)COCC1=CC=CC=C1 |
| SPLASH |
splash10-0006-9670000000-f04e0c08abd640228e40 |
| Sample Comments |
89% ee |
| Source of Spectrum |
CAJ-18-SM12-2g (DOI: 10.1002/asia.202201241) |
| Thin-Layer Chromatography |
0.20 (n-hexane/AcOEt, 3:1) |
| Wiley ID |
1901129 |
