| SpectraBase Spectrum ID |
XD4prHMRs |
| Name |
4-(Ethylthio)benzonitrile |
| Appearance |
Orange oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
163.045570468 u |
| Formula |
C9H9NS |
| GC Oven Program |
Oven temp 250oC |
| InChI |
InChI=1S/C9H9NS/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2H2,1H3 |
| InChIKey |
DPBHJRQNISIVHM-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 |
163.238 g/mol |
| Quality |
389 |
| Reported Formula |
C9H9NS |
| SMILES |
C(C)SC1=CC=C(C=C1)C#N |
| SPLASH |
splash10-03ds-0900000000-ce8fc5c21fac82b79390 |
| Source of Spectrum |
ACI-57-SM9-6 (DOI: 10.1002/anie.201806036) |
| Thin-Layer Chromatography |
0.35 (pentane/EtOAc, 98:2) |
| Wiley ID |
1893403 |
