| SpectraBase Spectrum ID |
4BeH1dqtg8 |
| Name |
2-(3-Chlorobenzylthio)uracil |
| Comments |
Note: The molecular formula of the structure shown is C11H10ClN2O2S - which differs from the formula reported for the mass spectrum (C11H9ClN2OS) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H9ClN2OS |
| InChI |
InChI=1S/C11H10ClN2O2S/c12-9-3-1-2-8(6-9)7-17-11(16)13-5-4-10(15)14-11/h1-6H,7H2,(H2,13,14,15,16) |
| InChIKey |
XFEVTWUUVYLDIO-UHFFFAOYSA-N |
| Molecular Weight |
269.726 g/mol |
| SMILES |
N1C=CC(N[C]1(=O)SCc1cc(ccc1)Cl)=O |
| SPLASH |
splash10-0uxr-0390000000-ec2a11a0f78da41785d6 |
| Source of Spectrum |
O-30-269-2 |
| Wiley ID |
1255077 |
