| SpectraBase Spectrum ID |
C8aS3dHRbsI |
| Name |
3,5-Dimethyl-4-((trifluoromethyl)thio)-1H-pyrrole-2-carbaldehyde |
| Appearance |
Brown solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
223.027869544 u |
| Formula |
C8H8F3NOS |
| GC Column |
HP-5MS (0.25 mm x 30 m, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 280oC |
| InChI |
InChI=1S/C8H8F3NOS/c1-4-6(3-13)12-5(2)7(4)14-8(9,10)11/h3,12H,1-2H3 |
| InChIKey |
QZPDGJNDINKASX-UHFFFAOYSA-N |
| Instrument Name |
Agilent Technologies 7890A Agilent 5975C VL MSD or 5975 inert MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201500957 |
| Molecular Weight |
223.213 g/mol |
| Quality |
149 |
| SMILES |
N1C(=C(C(=C1C)SC(F)(F)F)C)C=O |
| SPLASH |
splash10-014i-9210000000-e8e47e5ee0c47f6d304e |
| Source of Spectrum |
QE-21-SM14-14-1 (DOI: 10.1002/chem.201500957) |
| Thin-Layer Chromatography |
0.31 (EtOAc/n-pentane, 20%) |
| Wiley ID |
1906581 |
