| SpectraBase Spectrum ID |
61RktaI6Tli |
| Name |
Pyrimidinium, 2-(ethylthio)-3,6-dihydro-4-hydroxy-1,3-dimethyl-6-oxo-5-phenyl-, hydroxide, inner salt |
| CAS Registry Number |
103525-87-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H16N2O2S |
| InChI |
InChI=1S/C14H16N2O2S/c1-4-19-14-15(2)12(17)11(13(18)16(14)3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3 |
| InChIKey |
ICFNXHWUDFIXGD-UHFFFAOYSA-N |
| Molecular Weight |
276.354 g/mol |
| SMILES |
C=1([N+](=C(N(C(C1c1ccccc1)=O)C)SCC)C)[O-] |
| SPLASH |
splash10-00kf-9310000000-79030ff6d8ab0a98a000 |
| Source of Spectrum |
K-119-1323-3 |
| Synonyms |
2-(ethylsulfanyl)-1,3-dimethyl-6-oxo-5-phenyl-1,6-dihydropyrimidin-3-ium-4-olate
2-(ethylthio)-3,6-dihydro-1,3-dimethyl-6-oxo-5-phenyl-1-pyrimidinium-4-olat |
| Wiley ID |
1279882 |
