| SpectraBase Spectrum ID |
KyWJP8VfBLd |
| Name |
(1-Allyl-6-hydroxy-2-(methylthio)-6-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl) (4-bromophenyl) methanone |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H14BrF3N2O2S |
| InChI |
InChI=1S/C16H14BrF3N2O2S/c1-3-8-22-14(25-2)21-9-12(15(22,24)16(18,19)20)13(23)10-4-6-11(17)7-5-10/h3-7,9,24H,1,8H2,2H3 |
| InChIKey |
ZYLGXDXWZLVODW-UHFFFAOYSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202000879 |
| Molecular Weight |
435.259 g/mol |
| SMILES |
OC1(C(C(=O)c2ccc(cc2)Br)=CN=C(SC)N1CC=C)C(F)(F)F |
| SPLASH |
splash10-066r-1259100000-b83c47155d624d0bbe3f |
| Source of Spectrum |
U1-2020-5533-3y |
| Wiley ID |
1860918 |
