| SpectraBase Spectrum ID |
49qL86EDPVt |
| Name |
Ethyl-3-(tert-butylthio)benzoate |
| Appearance |
Pale-yellow liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.102750992 u |
| Formula |
C13H18O2S |
| GC Oven Program |
Oven temp 250oC |
| InChI |
InChI=1S/C13H18O2S/c1-5-15-12(14)10-7-6-8-11(9-10)16-13(2,3)4/h6-9H,5H2,1-4H3 |
| InChIKey |
VVZPCFOPXBFPNF-UHFFFAOYSA-N |
| Inlet Type |
Split injector |
| Instrument Name |
Agilent Technologies 7820A GC-5975 series MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201806036 |
| Molecular Weight |
238.345 g/mol |
| Quality |
195 |
| SMILES |
C1(=CC(=CC=C1)SC(C)(C)C)C(OCC)=O |
| SPLASH |
splash10-0540-1900000000-5ab53c1bb38c29f1051f |
| Source of Spectrum |
ACI-57-SM9-9 (DOI: 10.1002/anie.201806036) |
| Thin-Layer Chromatography |
0.30 (hexane/EtOAc, 97:3) |
| Wiley ID |
1893405 |
