| SpectraBase Spectrum ID |
8yyLdRHJETN |
| Name |
2-(2-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/c15-10-5-6-12-11(16,13-10)19-7-8-3-1-2-4-9(8)14(17)18/h1-6H,7H2,(H2,12,13,15,16) |
| InChIKey |
AJMYWGSLSKDHTG-UHFFFAOYSA-N |
| Molecular Weight |
280.278 g/mol |
| SMILES |
N1C=CC(N[C]1(=O)SCc1c(cccc1)N(=O)=O)=O |
| SPLASH |
splash10-02t9-0290000000-384cf606255a8f21c6ec |
| Source of Spectrum |
O-30-269-0 |
| Wiley ID |
1266668 |
