| SpectraBase Spectrum ID |
4PaToxcs5pS |
| Name |
But-3-ynyl 4-methylbenzenesulfonate |
| Appearance |
Colourless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.050715417 u |
| Formula |
C11H12O3S |
| InChI |
InChI=1S/C11H12O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h1,5-8H,4,9H2,2H3 |
| InChIKey |
STOASOOVVADOKH-UHFFFAOYSA-N |
| Instrument Name |
FINNIGAN MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.18.111 |
| Molecular Weight |
224.274 g/mol |
| Quality |
194 |
| Reported Formula |
C11H12O3(32)S |
| SMILES |
C(CC#C)OS(C1=CC=C(C=C1)C)(=O)=O |
| SPLASH |
splash10-0a4l-6910000000-79a97d9ddb05393e88c8 |
| Source of Spectrum |
BJO-18-SM47-4j (DOI: 10.3762/bjoc.18.111) |
| Thin-Layer Chromatography |
0.63 (cyclohexane/ethyl acetate, 2:1) |
| Wiley ID |
1901220 |
