| SpectraBase Spectrum ID |
CUw4RmQIHWj |
| Name |
Methyl (R)-3-((4-methylphenyl)sulfonamido)-2-(p-tolyl)propanoate |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.119129330 u |
| Formula |
C18H21NO4S |
| InChI |
InChI=1S/C18H21NO4S/c1-13-4-8-15(9-5-13)17(18(20)23-3)12-19-24(21,22)16-10-6-14(2)7-11-16/h4-11,17,19H,12H2,1-3H3/t17-/m0/s1 |
| InChIKey |
XJHVBHACJJKJLI-KRWDZBQOSA-N |
| Instrument Name |
JEOL JMS-DX303HF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201902009 |
| Molecular Weight |
347.429 g/mol |
| Optical Rotation |
[a]D20 = +14.2 (c = 0.5, CHCl3) |
| Quality |
121 |
| Reported Formula |
C18H21NO4S |
| SMILES |
N(S(C1=CC=C(C)C=C1)(=O)=O)C[C@](C(=O)OC)(C1=CC=C(C=C1)C)[H] |
| SPLASH |
splash10-03di-2900000000-9996430f67641045f5cc |
| Sample Comments |
99% ee |
| Source of Spectrum |
QE-25-SM22-3ab (DOI: 10.1002/chem.201902009) |
| Thin-Layer Chromatography |
0.50 (n-hexane/EtOAc, 3:2) |
| Wiley ID |
1893878 |
