| SpectraBase Spectrum ID |
7t4BbVCKe6e |
| Name |
2-hydroxy-2-methyl-3-[2-(methylthio)benzoyl]but-3-enoic acid ethyl ester |
| Alternate Name(s) |
2-hydroxy-2-methyl-3-[[2-(methylthio)phenyl]-oxomethyl]-3-butenoic acid ethyl ester
ethyl 2-hydroxy-2-methyl-3-(2-methylsulfanylbenzoyl)but-3-enoate
ethyl 2-methyl-3-(2-methylsulfanylphenyl)carbonyl-2-oxidanyl-but-3-enoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H18O4S |
| InChI |
InChI=1S/C15H18O4S/c1-5-19-14(17)15(3,18)10(2)13(16)11-8-6-7-9-12(11)20-4/h6-9,18H,2,5H2,1,3-4H3 |
| InChIKey |
WHEKZYJXFQAXJA-UHFFFAOYSA-N |
| Molecular Weight |
294.365 g/mol |
| SMILES |
OC(C(C(c1c(SC)cccc1)=O)=C)(C(=O)OCC)C |
| SPLASH |
splash10-00di-0090000000-67deaabda1412ddab87f |
| Source of Spectrum |
K1-2003-4860-14 |
| Wiley ID |
1521748 |
![2-hydroxy-2-methyl-3-[2-(methylthio)benzoyl]but-3-enoic acid ethyl ester](/api/spectrum/7t4BbVCKe6e/structure.png?h=300&w=458 "2-hydroxy-2-methyl-3-[2-(methylthio)benzoyl]but-3-enoic acid ethyl ester")
