| SpectraBase Spectrum ID |
IrzX2KiroX4 |
| Name |
Methyl 4-{[3-(methylthio)phenyl]amino}-4-oxobutanoate |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H15NO3S |
| InChI |
InChI=1S/C12H15NO3S/c1-16-12(15)7-6-11(14)13-9-4-3-5-10(8-9)17-2/h3-5,8H,6-7H2,1-2H3,(H,13,14) |
| InChIKey |
ORWWVGFFRMMNMC-UHFFFAOYSA-N |
| Instrument Name |
HP 6890 Series |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201814193 |
| Molecular Weight |
253.316 g/mol |
| Reported Formula |
C12H15NO3S |
| SMILES |
N(C(CCC(OC)=O)=O)c1cc(ccc1)SC |
| SPLASH |
splash10-0fri-0960000000-26c420ea4d3bf1fad5af |
| Source of Spectrum |
ACI-58-SM11-S4 |
| Thin-Layer Chromatography |
Rf = 0.19 (Cy/EtOAc, 2:1) |
| Wiley ID |
1843135 |
![Methyl 4-{[3-(methylthio)phenyl]amino}-4-oxobutanoate](/api/spectrum/IrzX2KiroX4/structure.png?h=300&w=458 "Methyl 4-{[3-(methylthio)phenyl]amino}-4-oxobutanoate")
