| SpectraBase Spectrum ID |
IiMlt0hx7R7 |
| Name |
3-Hydroxy-3-methyl-2-oxobutyl 2-((4-chlorophenyl)thio)propanoate |
| Appearance |
Colorless oil |
| Carrier Gas |
helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.053607897 u |
| Formula |
C14H17ClO4S |
| GC Oven Program |
Oven temp 250oC |
| InChI |
InChI=1S/C14H17ClO4S/c1-9(20-11-6-4-10(15)5-7-11)13(17)19-8-12(16)14(2,3)18/h4-7,9,18H,8H2,1-3H3 |
| InChIKey |
COQCAHSRDUYFNO-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP5050A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901226 |
| Molecular Weight |
316.799 g/mol |
| Quality |
299 |
| SMILES |
OC(C)(C(COC(=O)C(C)SC1=CC=C(C=C1)Cl)=O)C |
| SPLASH |
splash10-0a4i-8930000000-97b07afdae4726098765 |
| Source of Spectrum |
K1-2019-SM8-3m (DOI: 10.1002/ejoc.201901226) |
| Wiley ID |
1892280 |
