| SpectraBase Spectrum ID |
FRcPTaPReeI |
| Name |
(3-13C,4-2H2)-3-Methylbut-3-en-1-yl-4-methylbenzenesulfonate |
| Appearance |
Colorless oil |
| Comments |
Original formula: C11[13C]H14D2O3S |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O3S |
| 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/i1D2,10+1 |
| InChIKey |
KKRCXGGGEPQALO-XBZMMYRJSA-N |
| Instrument Name |
5977A GC/MSD system with a 7890B GC and 5977A mass selective detector |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202010084 |
| Molecular Weight |
243.322 g/mol |
| SMILES |
C([2H])(=[13C](CCOS(=O)(=O)c1ccc(cc1)C)C)[2H] |
| SPLASH |
splash10-0596-9100000000-2d8b7834c551f6401032 |
| Source of Spectrum |
ACI-59-SM136-S12 |
| Thin-Layer Chromatography |
Rf = 0.44 (pentane/Et2O, 5:1) |
| Wiley ID |
1858398 |
