| SpectraBase Spectrum ID |
ELdvvixSWM2 |
| Name |
(E)-2-(4-Methyl-1-tosylpyrrolidin-3-ylidene)hexanal |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.155514840 u |
| Formula |
C18H25NO3S |
| InChI |
InChI=1S/C18H25NO3S/c1-4-5-6-16(13-20)18-12-19(11-15(18)3)23(21,22)17-9-7-14(2)8-10-17/h7-10,13,15H,4-6,11-12H2,1-3H3/b18-16- |
| InChIKey |
RGQOCTONFONVFW-VLGSPTGOSA-N |
| Instrument Name |
JEOL JMS-700 MStation or JMS-Q1000TD TLC-MS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/asia.202201241 |
| Molecular Weight |
335.462 g/mol |
| Optical Rotation |
[a]D20 = +66.0 (c = 0.15, CHCl3) |
| Quality |
256 |
| Reported Formula |
C18H25NO3S |
| SMILES |
CC1\C(CN(C1)S(C1=CC=C(C=C1)C)(=O)=O)=C/(C=O)CCCC |
| SPLASH |
splash10-053u-6905000000-cd4dcddaf8024b036c95 |
| Sample Comments |
90% ee |
| Source of Spectrum |
CAJ-18-SM11-2f (DOI: 10.1002/asia.202201241) |
| Thin-Layer Chromatography |
0.34 (n-hexane/AcOEt, 3:1) |
| Wiley ID |
1901128 |
