| SpectraBase Spectrum ID |
3yfbLV1CNpb |
| Name |
Ethyl (Z)-2-[(Z)-3-{2-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]ethylidene}isobenzofuran-1(3H)-ylidene}acetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H20N2O3S |
| InChI |
InChI=1S/C20H20N2O3S/c1-4-24-19(23)12-18-16-8-6-5-7-15(16)17(25-18)9-10-26-20-21-13(2)11-14(3)22-20/h5-9,11-12H,4,10H2,1-3H3/b17-9-,18-12- |
| InChIKey |
MDPNZLILTVRVCV-CWAAFORRSA-N |
| Molecular Weight |
368.451 g/mol |
| SMILES |
C(\C=C/1O\C(=C/CSc2nc(C)cc(n2)C)c2c1cccc2)(=O)OCC |
| SPLASH |
splash10-00or-0095000000-00cdcc8e69dc47053706 |
| Source of Spectrum |
F4-40-1097-2i |
| Wiley ID |
1670483 |
![Ethyl (Z)-2-[(Z)-3-{2-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]ethylidene}isobenzofuran-1(3H)-ylidene}acetate](/api/spectrum/3yfbLV1CNpb/structure.png?h=300&w=458 "Ethyl (Z)-2-[(Z)-3-{2-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]ethylidene}isobenzofuran-1(3H)-ylidene}acetate")
