| SpectraBase Spectrum ID |
4Jc7FrlTNJ4 |
| Name |
Hept-1-yn-4-yl 4-methylbenzenesulfonate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.097665611 u |
| Formula |
C14H18O3S |
| InChI |
InChI=1S/C14H18O3S/c1-4-6-13(7-5-2)17-18(15,16)14-10-8-12(3)9-11-14/h1,8-11,13H,5-7H2,2-3H3 |
| InChIKey |
XDQLBKBTFNALJV-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201604585 |
| Molecular Weight |
266.355 g/mol |
| Quality |
128 |
| Reported Formula |
C14H18O3S |
| SMILES |
CCCC(CC#C)OS(C1=CC=C(C=C1)C)(=O)=O |
| SPLASH |
splash10-0a4l-8930000000-32b482a680a5c1bb61f3 |
| Source of Spectrum |
QE-23-SM10-25a (DOI: 10.1002/chem.201604585) |
| Thin-Layer Chromatography |
0.35 (hexane/EtOAc, 9:1, UV, KMnO4) |
| Wiley ID |
1903909 |
