| SpectraBase Spectrum ID |
FGSurHvRy31 |
| Name |
(E)-(4-13C,4-2H)-3-Methylbut-3-en-1-yl-4-methylbenzenesulfonate |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.091647127 u |
| Formula |
C11[13C]H15DO3S |
| 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/i1+1D/b10-1+ |
| InChIKey |
KKRCXGGGEPQALO-USOFWQSASA-N |
| Instrument Name |
Agilent 7890B-5977A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201803800 |
| Molecular Weight |
242.315 g/mol |
| Quality |
104 |
| SMILES |
C(\C(=[13CH]\[D])C)COS(C1=CC=C(C=C1)C)(=O)=O |
| SPLASH |
splash10-05fu-9200000000-de09ed7612037fc681ba |
| Source of Spectrum |
ACI-57-SM23-S5b (DOI: 10.1002/anie.201803800) |
| Thin-Layer Chromatography |
0.62 (Cyclohexane/EtOAc, 3:1) |
| Wiley ID |
1891103 |
