| SpectraBase Spectrum ID |
4rpKFsIHOy2 |
| Name |
Ethyl[(2-(benzo[d]-(1,3)-dioxol-5'-yl)vinyl]-4,5-dimethyl-6-(methylpyrimidin-4"-yl)sulfanyl}-acetate |
| Alternate Name(s) |
[5-Acetyl-2-((E)-2-benzo[1,3]dioxol-5-yl-vinyl)-6-methyl-pyrimidin-4-ylsulfanyl]-acetic acid ethyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H20N2O5S |
| InChI |
InChI=1S/C20H20N2O5S/c1-4-25-18(24)10-28-20-19(13(3)23)12(2)21-17(22-20)8-6-14-5-7-15-16(9-14)27-11-26-15/h5-9H,4,10-11H2,1-3H3/b8-6+ |
| InChIKey |
OPLPVIMJAFKOTM-SOFGYWHQSA-N |
| Molecular Weight |
400.449 g/mol |
| SMILES |
c1(c(c(nc(n1)\C=C\c1cc2c(OCO2)cc1)C)C(=O)C)SCC(=O)OCC |
| SPLASH |
splash10-0006-0009100000-7e790fd0cbfba2a50bbd |
| Source of Spectrum |
AH-139-583-6 |
| Wiley ID |
1695670 |
![Ethyl[(2-(benzo[d]-(1,3)-dioxol-5'-yl)vinyl]-4,5-dimethyl-6-(methylpyrimidin-4"-yl)sulfanyl}-acetate](/api/spectrum/4rpKFsIHOy2/structure.png?h=300&w=458 "Ethyl[(2-(benzo[d]-(1,3)-dioxol-5'-yl)vinyl]-4,5-dimethyl-6-(methylpyrimidin-4\"-yl)sulfanyl}-acetate")
