| SpectraBase Spectrum ID |
DTanUmIURS |
| Name |
1-(4-Chlorobenzyl)-6-(o-carboxyphenylthio)uracil |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H13ClN2O4S |
| InChI |
InChI=1S/C18H13ClN2O4S/c19-12-7-5-11(6-8-12)10-21-16(9-15(22)20-18(21)25)26-14-4-2-1-3-13(14)17(23)24/h1-9H,10H2,(H,23,24)(H,20,22,25) |
| InChIKey |
GGRREMBZKRQIRL-UHFFFAOYSA-N |
| Molecular Weight |
388.825 g/mol |
| SMILES |
N1C(C=C(Sc2c(C(=O)O)cccc2)N(C1=O)Cc1ccc(cc1)Cl)=O |
| SPLASH |
splash10-004i-0900000000-a13b24a1b956af4f71eb |
| Source of Spectrum |
QC-25-994-5 |
| Synonyms |
2-{[3-(4-chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl]sulfanyl}benzoic acid |
| Wiley ID |
1584359 |
