| SpectraBase Spectrum ID |
44LNECmh6DR |
| Name |
2-(3-Nitrobenzylthio)uracil |
| Comments |
Note: The molecular formula of the structure shown is C11H10N3O4S - which differs from the formula reported for the mass spectrum (C11H9N3O3S) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H9N3O3S |
| InChI |
InChI=1S/C11H10N3O4S/c15-10-4-5-12-11(16,13-10)19-7-8-2-1-3-9(6-8)14(17)18/h1-6H,7H2,(H2,12,13,15,16) |
| InChIKey |
UJGVRWAQZWEBDK-UHFFFAOYSA-N |
| Molecular Weight |
280.278 g/mol |
| SMILES |
N1C=CC(N[C]1(=O)SCc1cc(ccc1)N(=O)=O)=O |
| SPLASH |
splash10-03dj-3290000000-01b283be5cb17fe675de |
| Source of Spectrum |
O-30-269-0 |
| Wiley ID |
1266667 |
