| SpectraBase Compound ID | 3cHfnFAkqaH |
|---|---|
| InChI | InChI=1S/C10H13N3O3S2/c1-16-6-4-7(17-2)9(12-13-10(11)14)8(5-6)18(3)15/h4-5H,1-3H3,(H2,11,14)/b13-12+ |
| InChIKey | KAQNBJMIVARFTH-OUKQBFOZSA-N |
| Mol Weight | 287.35 g/mol |
| Molecular Formula | C10H13N3O3S2 |
| Exact Mass | 287.039834 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2rXUmwrqbPu |
|---|---|
| Name | Rubroflavin - methyl ether |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H13N3O3S2 |
| InChI | InChI=1S/C10H13N3O3S2/c1-16-6-4-7(17-2)9(12-13-10(11)14)8(5-6)18(3)15/h4-5H,1-3H3,(H2,11,14)/b13-12+ |
| InChIKey | KAQNBJMIVARFTH-OUKQBFOZSA-N |
| Molecular Weight | 287.352 g/mol |
| SMILES | NC(\N=N\c1c([S+]([O-])C)cc(OC)cc1SC)=O |
| SPLASH | splash10-1003-3590000000-89e96b444daecaba09d5 |
| Source of Spectrum | K1-2001-3102-5 |
| Wiley ID | 814084 |