SpectraBase Spectrum ID |
7cbJcsnBuEW |
Name |
(E)-(4-2H)-3-Methylbut-3-en-1-yl 4-methylbenzenesulfonate |
Appearance |
Pale yellow liquid |
Carrier Gas |
Helium |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
241.088292292 u |
Formula |
C12H15DO3S |
InChI |
InChI=1S/C12H16O3S/c1-10(2)8-9-15-16(13,14)12-6-4-11(3)5-7-12/h4-7H,1,8-9H2,2-3H3/i1D/b10-1+ |
InChIKey |
KKRCXGGGEPQALO-JCGFHERMSA-N |
Instrument Name |
Agilent 7890B-5977A |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/anie.201800385 |
Molecular Weight |
241.323 g/mol |
Quality |
121 |
SMILES |
C\C(=C/[D])CCOS(C1=CC=C(C=C1)C)(=O)=O |
SPLASH |
splash10-066u-9400000000-48a785476af242bf4e89 |
Source of Spectrum |
ACI-57-SM24-S06 (DOI: 10.1002/anie.201800385) |
Thin-Layer Chromatography |
0.64 (cyclohexane/EtOAc, 3:1) |
Wiley ID |
1890615 |