| SpectraBase Spectrum ID |
B94VDRrhU6O |
| Name |
(2-13C)-3-Methylbut-3-en-1-yl 4-methylbenzenesulfonate |
| Appearance |
Yellowish oil |
| Comments |
Original formula: C11[13C]H16O3S |
| Copyright |
Copyright © 2020-2025 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/i8+1 |
| InChIKey |
KKRCXGGGEPQALO-UHFFFAOYSA-N |
| Instrument Name |
Agilent 7890B-5977A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201812216 |
| Molecular Weight |
241.309 g/mol |
| SMILES |
[13CH2](C(=C)C)COS(c1ccc(cc1)C)(=O)=O |
| SPLASH |
splash10-014l-9100000000-ca93cb8a4783f76dce61 |
| Source of Spectrum |
ACI-58-SM64-S18 |
| Thin-Layer Chromatography |
Rf = 0.63 (cyclohexane/EtOAc, 3:1) |
| Wiley ID |
1840424 |
