| SpectraBase Spectrum ID |
qL7Us4GmxC |
| Name |
3-((13C)Methyl)but-3-en-1-yl 4-methylbenzenesulfonate |
| Appearance |
Colorless oil |
| Comments |
Original formula: C11[13C]H16O3S |
| 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/i2+1 |
| InChIKey |
KKRCXGGGEPQALO-VQEHIDDOSA-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 |
241.309 g/mol |
| SMILES |
[13CH3]C(CCOS(=O)(c1ccc(cc1)C)=O)=C |
| SPLASH |
splash10-014l-9100000000-bbdbe42e675fe417af4c |
| Source of Spectrum |
ACI-59-SM133-S6 |
| Thin-Layer Chromatography |
Rf = 0.44 (cyclohexane/EA, 5:1) |
| Wiley ID |
1858404 |
