| SpectraBase Spectrum ID |
HolDSmrTEMe |
| Name |
2-(but-3-en-2-yl)-1-tosyl-1H-pyrrole |
| Carrier Gas |
Hydrogen (1.7 ml/min, 1.2 bar) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.097999963 u |
| Formula |
C15H17NO2S |
| GC Column |
Macherey-Nagel Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C15H17NO2S/c1-4-13(3)15-6-5-11-16(15)19(17,18)14-9-7-12(2)8-10-14/h4-11,13H,1H2,2-3H3 |
| InChIKey |
KOXIYLFVTJRYPK-UHFFFAOYSA-N |
| Instrument Name |
Agilent 5973 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201601283 |
| Optical Rotation |
[a]D20 = +18.9 (c = 0.9 g/100 ml, CHCl3) |
| Quality |
253 |
| SMILES |
CC(C=C)C=1N(C=CC1)S(C1=CC=C(C=C1)C)(=O)=O |
| SPLASH |
splash10-006x-9630000000-f30ce7fda4d44dfbd425 |
| Sample Comments |
96% ee |
| Source of Spectrum |
QE-22-SM45-45-1 (DOI: 10.1002/chem.201601283) |
| Thin-Layer Chromatography |
0.3 (CyHex/EtOAc, 10:1) |
| Wiley ID |
1903370 |
