| SpectraBase Spectrum ID |
J87JDws9Fv3 |
| Name |
2-Methylbutyl 4-methylbenzenesulfonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H18O3S |
| InChI |
InChI=1S/C12H18O3S/c1-4-10(2)9-15-16(13,14)12-7-5-11(3)6-8-12/h5-8,10H,4,9H2,1-3H3 |
| InChIKey |
HPEVJTNZYIMANV-UHFFFAOYSA-N |
| Instrument Name |
HP 6890 GC-5973 MSD/Agilent Technologies GC 7890A-5975C MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np400131q |
| Molecular Weight |
242.333 g/mol |
| SMILES |
CCC(COS(c1ccc(cc1)C)(=O)=O)C |
| SPLASH |
splash10-05fu-9300000000-106219c0e1bb08cedfda |
| Source of Spectrum |
G4-76-SM16-SM16-2 |
| Thin-Layer Chromatography |
Rf = 0.45 (pentane/tert-butyl methyl ether, 9:1) |
| Wiley ID |
1865743 |
