| SpectraBase Spectrum ID |
DJhhTN22YNH |
| Name |
3-[(5'-Acetyl-2'-(benzo[d]-(1,3)-dioxol-5'-yl)vinyl]-4-[(2"-cyanoethyl)sulfanyl]-6-methylpyrimidine |
| Alternate Name(s) |
3-[5-Acetyl-2-((E)-2-benzo[1,3]dioxol-5-yl-vinyl)-6-methyl-pyrimidin-4-ylsulfanyl]-propionitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H17N3O3S |
| InChI |
InChI=1S/C19H17N3O3S/c1-12-18(13(2)23)19(26-9-3-8-20)22-17(21-12)7-5-14-4-6-15-16(10-14)25-11-24-15/h4-7,10H,3,9,11H2,1-2H3/b7-5+ |
| InChIKey |
YCKSHCMZASIBMF-FNORWQNLSA-N |
| Molecular Weight |
367.423 g/mol |
| SMILES |
c1(c(c(nc(n1)\C=C\c1cc2c(OCO2)cc1)C)C(=O)C)SCCC#N |
| SPLASH |
splash10-0a4i-0009000000-919baf3f13b971467981 |
| Source of Spectrum |
AH-139-584-13 |
| Wiley ID |
1695666 |
![3-[(5'-Acetyl-2'-(benzo[d]-(1,3)-dioxol-5'-yl)vinyl]-4-[(2"-cyanoethyl)sulfanyl]-6-methylpyrimidine](/api/spectrum/DJhhTN22YNH/structure.png?h=300&w=458 "3-[(5'-Acetyl-2'-(benzo[d]-(1,3)-dioxol-5'-yl)vinyl]-4-[(2\"-cyanoethyl)sulfanyl]-6-methylpyrimidine")
