| SpectraBase Spectrum ID |
ItL7kK6T3wq |
| Name |
Methyl (R)-2-(4-fluorophenyl)-3-((4-methylphenyl)sulfonamido)propanoate |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.094057397 u |
| Formula |
C17H18FNO4S |
| InChI |
InChI=1S/C17H18FNO4S/c1-12-3-9-15(10-4-12)24(21,22)19-11-16(17(20)23-2)13-5-7-14(18)8-6-13/h3-10,16,19H,11H2,1-2H3/t16-/m0/s1 |
| InChIKey |
OVWOLUPRBFZBDH-INIZCTEOSA-N |
| Instrument Name |
JEOL JMS-DX303HF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201902009 |
| Molecular Weight |
351.392 g/mol |
| Optical Rotation |
[a]D20 = +15.0 (c = 0.5, CHCl3) |
| Quality |
95 |
| Reported Formula |
C17H18FNO4S |
| SMILES |
N(S(C1=CC=C(C)C=C1)(=O)=O)C[C@](C(=O)OC)(C1=CC=C(C=C1)F)[H] |
| SPLASH |
splash10-0apl-2900000000-c969c193090c879f1bf4 |
| Sample Comments |
92% ee |
| Source of Spectrum |
QE-25-SM24-3ai (DOI: 10.1002/chem.201902009) |
| Thin-Layer Chromatography |
0.43 (n-hexane/EtOAc, 6:4) |
| Wiley ID |
1893881 |
