| SpectraBase Spectrum ID |
8z7a8sPSEZj |
| Name |
1-[2'-(Benzo[d]-(1,3)-dioxol-5''-yl)vinyl]-6-methyl-4-(methylthio)-ethanone |
| Alternate Name(s) |
1-[2-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-4-methyl-6-methylsulfanyl-pyrimidin-5-yl]-ethanone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16N2O3S |
| InChI |
InChI=1S/C17H16N2O3S/c1-10-16(11(2)20)17(23-3)19-15(18-10)7-5-12-4-6-13-14(8-12)22-9-21-13/h4-8H,9H2,1-3H3/b7-5+ |
| InChIKey |
WPIIEMLROFLZNK-FNORWQNLSA-N |
| Molecular Weight |
328.386 g/mol |
| SMILES |
c1(c(c(nc(n1)\C=C\c1cc2OCOc2cc1)C)C(=O)C)SC |
| SPLASH |
splash10-0002-0900000000-aa776ffd9971731867f5 |
| Source of Spectrum |
AH-139-583-5 |
| Wiley ID |
1695671 |
![1-[2'-(Benzo[d]-(1,3)-dioxol-5''-yl)vinyl]-6-methyl-4-(methylthio)-ethanone](/api/spectrum/8z7a8sPSEZj/structure.png?h=300&w=458 "1-[2'-(Benzo[d]-(1,3)-dioxol-5''-yl)vinyl]-6-methyl-4-(methylthio)-ethanone")
